#------------------------------------------------------------------------------ #$Date: 2017-04-20 05:33:34 +0300 (Thu, 20 Apr 2017) $ #$Revision: 195613 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/04/27/7042727.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_7042727 loop_ _publ_author_name 'Casanovas, Berta' 'Zinna, Francesco' 'Di Bari, Lorenzo' 'El Fallah, M. Salah' 'Font-Bard\'ia, Merc\`e' 'Vicente, Ramon' _publ_section_title ; Circularly Polarized Luminescence on dinuclear Tb(III) and Eu(III) complexes with (S-) and (R-) 2-Phenylpropionate ; _journal_name_full 'Dalton Trans.' _journal_paper_doi 10.1039/C6DT04686J _journal_year 2017 _chemical_absolute_configuration rmad _chemical_formula_sum 'C201 H190 Eu4 N8 O34' _chemical_formula_weight 3869.44 _space_group_crystal_system monoclinic _space_group_IT_number 4 _space_group_name_Hall 'P 2yb' _space_group_name_H-M_alt 'P 1 21 1' _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _atom_sites_solution_hydrogens mixed _audit_creation_method SHELXL-2016/6 _audit_update_record ; 2017-02-24 deposited with the CCDC. 2017-04-19 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 99.993(2) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 17.5789(10) _cell_length_b 19.2932(11) _cell_length_c 26.7404(13) _cell_measurement_reflns_used 9679 _cell_measurement_temperature 100(2) _cell_measurement_theta_max 32.41 _cell_measurement_theta_min 2.35 _cell_volume 8931.5(8) _computing_cell_refinement 'Bruker SAINT' _computing_data_collection 'Bruker APEX2' _computing_data_reduction 'Bruker SAINT' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _computing_structure_refinement 'SHELXL-2014 (Sheldrick 2014)' _computing_structure_solution 'SHELXS-97 (Sheldrick 2008)' _diffrn_ambient_temperature 100(2) _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0491 _diffrn_reflns_av_unetI/netI 0.0426 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -25 _diffrn_reflns_limit_k_max 27 _diffrn_reflns_limit_k_min -27 _diffrn_reflns_limit_l_max 38 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 313592 _diffrn_reflns_point_group_measured_fraction_full 0.997 _diffrn_reflns_point_group_measured_fraction_max 0.994 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 30.591 _diffrn_reflns_theta_min 2.248 _exptl_absorpt_coefficient_mu 1.462 _exptl_absorpt_correction_T_max 0.7467 _exptl_absorpt_correction_T_min 0.6338 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details sadabs _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.439 _exptl_crystal_description prism _exptl_crystal_F_000 3952 _exptl_crystal_preparation ', Magnetic properties,Luminescent' _exptl_crystal_size_max 0.254 _exptl_crystal_size_mid 0.187 _exptl_crystal_size_min 0.098 _refine_diff_density_max 1.895 _refine_diff_density_min -1.175 _refine_diff_density_rms 0.099 _refine_ls_abs_structure_details ; Flack x determined using 21579 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). ; _refine_ls_abs_structure_Flack 0.006(2) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.027 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 2292 _refine_ls_number_reflns 54633 _refine_ls_number_restraints 18 _refine_ls_restrained_S_all 1.027 _refine_ls_R_factor_all 0.0410 _refine_ls_R_factor_gt 0.0317 _refine_ls_shift/su_max 0.003 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0277P)^2^+5.1978P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0655 _refine_ls_wR_factor_ref 0.0694 _reflns_Friedel_coverage 0.944 _reflns_Friedel_fraction_full 0.996 _reflns_Friedel_fraction_max 0.992 _reflns_number_gt 48876 _reflns_number_total 54633 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file c6dt04686j2.cif _cod_data_source_block R-2 _cod_database_code 7042727 _shelx_shelxl_version_number 2016/6 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.708 _shelx_estimated_absorpt_t_max 0.870 _shelx_res_file ; TITL mo_IBBTB173_0m_a_a.res in P2(1) mo_IBBTB173_0m_a_a.res created by SHELXL-2016/6 at 18:39:23 on 23-Feb-2017 REM Old TITL mo_IBBTB173_0m_a.res in P2(1) REM SHELXT solution in P2(1) REM R1 0.076, Rweak 0.014, Alpha 0.023, Orientation as input REM Flack x = 0.069 ( 0.002 ) from Parsons' quotients REM Formula found by SHELXT: C160 N44 O46 Eu4 CELL 0.71073 17.5789 19.2932 26.7404 90.000 99.993 90.000 ZERR 2.000 0.0010 0.0011 0.0013 0.000 0.002 0.000 LATT -1 SYMM -X, 1/2+Y, -Z SFAC C H N O EU UNIT 402 380 16 68 8 LIST 6 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -173.150 SIZE 0.098 0.187 0.254 L.S. 10 BOND $H FMAP 2 OMIT 0 2 0 OMIT 0 -2 0 OMIT -4 -3 2 OMIT -4 3 2 EQIV $1 1-x,-1/2+y,1-z EQIV $2 x,-1+y,z DFIX 1.5 0.001 C19L C20L DFIX 1.5 0.01 C20K C21K DFIX 0.8 0.01 H1OL O1L DFIX 1.8 0.01 H1OL O9A DFIX 0.8 0.01 H3OL O3L DFIX 1.8 0.01 H3OL O11A_$1 DFIX 0.8 0.01 H5OL O5L DFIX 1.8 0.01 H5OL O10B DFIX 0.8 0.01 H5OK O5K DFIX 1.8 0.1 H5OK O10B DFIX 0.8 0.01 H7OL O7L DFIX 1.8 0.01 H7OL O11B DFIX 0.8 0.01 H9OL O9L DFIX 1.8 0.01 H9OL O12B DFIX 2.2 0.01 H66B H5OK PLAN 200 ACTA DELU 0.02 C4L C9L C20L C22L WGHT 0.027700 5.197800 FVAR 0.15091 EU1A 5 0.309918 0.432327 0.571524 11.00000 0.01519 0.01491 = 0.00954 -0.00161 0.00235 0.00006 EU2A 5 0.193620 0.468766 0.683506 11.00000 0.01731 0.01359 = 0.00938 -0.00036 0.00254 0.00006 O1A 4 0.198981 0.361395 0.563181 11.00000 0.01973 0.02409 = 0.01740 -0.00488 0.00457 -0.00542 O2A 4 0.142060 0.374987 0.631197 11.00000 0.02585 0.01653 = 0.01356 -0.00280 0.00452 -0.00338 O3A 4 0.197116 0.501858 0.599280 11.00000 0.02001 0.01664 = 0.01097 0.00177 0.00183 -0.00072 O4A 4 0.218844 0.513822 0.521512 11.00000 0.02897 0.02287 = 0.01318 0.00163 0.00576 0.00787 O5A 4 0.364435 0.526248 0.623993 11.00000 0.01978 0.02286 = 0.01452 -0.00651 0.00410 -0.00566 O6A 4 0.303252 0.539505 0.690050 11.00000 0.02142 0.02398 = 0.01706 -0.00480 0.00634 -0.00297 O7A 4 0.316795 0.391961 0.656365 11.00000 0.02472 0.01840 = 0.01172 0.00127 0.00089 0.00223 O8A 4 0.290881 0.398950 0.734080 11.00000 0.02886 0.02858 = 0.01551 0.00439 0.00740 0.01207 O9A 4 0.357701 0.312626 0.563667 11.00000 0.02590 0.02050 = 0.01693 -0.00017 0.00419 0.00516 O10A 4 0.445298 0.394832 0.579125 11.00000 0.02159 0.02439 = 0.02804 -0.00011 0.00821 0.00391 O11A 4 0.136064 0.587482 0.680755 11.00000 0.02551 0.01490 = 0.01976 -0.00001 0.00424 -0.00057 O12A 4 0.055711 0.500353 0.676935 11.00000 0.02006 0.01985 = 0.03171 0.00021 0.00219 0.00165 N1A 3 0.295033 0.393436 0.477091 11.00000 0.01656 0.01536 = 0.01226 -0.00259 0.00412 0.00072 N2A 3 0.377547 0.508495 0.510414 11.00000 0.02471 0.02157 = 0.01314 -0.00442 0.00479 -0.00823 N3A 3 0.134991 0.387531 0.744361 11.00000 0.02294 0.01849 = 0.01283 0.00253 0.00262 -0.00146 N4A 3 0.196882 0.513523 0.774606 11.00000 0.01996 0.01522 = 0.01395 -0.00087 0.00181 0.00121 C1A 1 0.143679 0.353992 0.586984 11.00000 0.01839 0.01501 = 0.01611 -0.00105 0.00093 -0.00064 C2A 1 0.072122 0.317428 0.558345 11.00000 0.02578 0.03199 = 0.01719 -0.00398 0.00153 -0.00865 AFIX 13 H2A 2 0.087968 0.292884 0.528853 11.00000 -1.20000 AFIX 0 C3A 1 0.013574 0.373429 0.536698 11.00000 0.03475 0.05170 = 0.06141 0.01683 -0.01613 -0.00766 AFIX 137 H3AA 2 0.036931 0.404409 0.514567 11.00000 -1.50000 H3AB 2 -0.001245 0.400214 0.564633 11.00000 -1.50000 H3AC 2 -0.032355 0.351428 0.517072 11.00000 -1.50000 AFIX 0 C4A 1 0.040027 0.263331 0.589986 11.00000 0.02603 0.03794 = 0.02182 0.00035 -0.00462 -0.01689 C5A 1 -0.012246 0.278322 0.621397 11.00000 0.03481 0.08026 = 0.03358 -0.00477 0.00622 -0.02211 AFIX 43 H5A 2 -0.029681 0.324450 0.624613 11.00000 -1.20000 AFIX 0 C6A 1 -0.039772 0.222577 0.649171 11.00000 0.04365 0.11415 = 0.03402 -0.00284 0.00330 -0.04191 AFIX 43 H6A 2 -0.076012 0.231587 0.670911 11.00000 -1.20000 AFIX 0 C7A 1 -0.013984 0.157260 0.644301 11.00000 0.06237 0.06795 = 0.04740 0.01499 -0.01970 -0.03991 AFIX 43 H7A 2 -0.032473 0.120769 0.662824 11.00000 -1.20000 AFIX 0 C8A 1 0.037351 0.142876 0.613744 11.00000 0.07423 0.05188 = 0.05498 0.01413 -0.02355 -0.02835 AFIX 43 H8A 2 0.054680 0.096628 0.610940 11.00000 -1.20000 AFIX 0 C9A 1 0.064736 0.195054 0.586584 11.00000 0.04518 0.04039 = 0.04102 0.00416 -0.00948 -0.01179 AFIX 43 H9A 2 0.101014 0.184414 0.565196 11.00000 -1.20000 AFIX 0 C10A 1 0.187336 0.534802 0.557515 11.00000 0.01729 0.01967 = 0.01246 -0.00209 0.00171 -0.00009 C11A 1 0.137452 0.599672 0.551302 11.00000 0.02527 0.02148 = 0.01547 0.00423 0.00651 0.00760 AFIX 13 H11A 2 0.128596 0.613972 0.585777 11.00000 -1.20000 AFIX 0 C12A 1 0.059063 0.580676 0.519722 11.00000 0.02395 0.02570 = 0.02926 0.00582 0.00835 0.00448 AFIX 137 H12A 2 0.066328 0.564786 0.486060 11.00000 -1.50000 H12B 2 0.025352 0.621481 0.516094 11.00000 -1.50000 H12C 2 0.035316 0.543599 0.536789 11.00000 -1.50000 AFIX 0 C13A 1 0.180452 0.658311 0.530059 11.00000 0.02571 0.01397 = 0.02054 -0.00027 0.00790 0.00387 C14A 1 0.147968 0.697966 0.489116 11.00000 0.02639 0.02643 = 0.03004 0.01045 0.00097 0.00204 AFIX 43 H14A 2 0.096872 0.688408 0.472320 11.00000 -1.20000 AFIX 0 C15A 1 0.189601 0.752261 0.472022 11.00000 0.03914 0.02997 = 0.04174 0.01697 0.00491 0.00027 AFIX 43 H15A 2 0.166429 0.779324 0.443770 11.00000 -1.20000 AFIX 0 C16A 1 0.264034 0.766912 0.495799 11.00000 0.03785 0.02312 = 0.04862 0.00412 0.01348 -0.00313 AFIX 43 H16A 2 0.291838 0.804305 0.484471 11.00000 -1.20000 AFIX 0 C17A 1 0.297406 0.726448 0.536237 11.00000 0.02406 0.02920 = 0.04952 -0.00189 0.00276 -0.00386 AFIX 43 H17A 2 0.349021 0.735245 0.552382 11.00000 -1.20000 AFIX 0 C18A 1 0.256083 0.673178 0.553359 11.00000 0.03102 0.02551 = 0.02762 0.00384 -0.00633 -0.00053 AFIX 43 H18A 2 0.279578 0.646131 0.581534 11.00000 -1.20000 AFIX 0 C19A 1 0.358385 0.549995 0.666846 11.00000 0.01969 0.01378 = 0.01776 -0.00283 0.00345 -0.00260 C20A 1 0.424534 0.594364 0.695021 11.00000 0.02769 0.03777 = 0.01930 -0.01562 0.00511 -0.01654 AFIX 13 H20A 2 0.399561 0.632105 0.712062 11.00000 -1.20000 AFIX 0 C21A 1 0.472021 0.630585 0.660160 11.00000 0.02835 0.03068 = 0.03063 -0.00117 -0.00083 -0.01488 AFIX 137 H21A 2 0.494943 0.595835 0.640543 11.00000 -1.50000 H21B 2 0.513149 0.657796 0.680622 11.00000 -1.50000 H21C 2 0.438497 0.661408 0.636907 11.00000 -1.50000 AFIX 0 PART 1 C22A 1 0.470629 0.555791 0.734944 10.70000 0.01188 0.02435 = 0.01802 0.00113 -0.00026 -0.00660 C23A 1 0.486602 0.486113 0.730687 10.70000 0.03313 0.02830 = 0.04014 -0.00745 -0.01751 0.00220 AFIX 43 H23A 2 0.467131 0.462544 0.699934 10.70000 -1.20000 AFIX 0 C24A 1 0.530273 0.449979 0.770181 10.70000 0.03534 0.02069 = 0.05945 -0.00091 -0.01662 0.00358 AFIX 43 H24A 2 0.540035 0.401999 0.766413 10.70000 -1.20000 AFIX 0 C25A 1 0.559683 0.483081 0.814907 10.70000 0.02643 0.05650 = 0.02675 0.01245 -0.00303 -0.00458 AFIX 43 H25A 2 0.588893 0.457754 0.842127 10.70000 -1.20000 AFIX 0 C26A 1 0.546965 0.552339 0.820266 10.70000 0.03569 0.04499 = 0.01671 -0.00170 -0.00199 0.00815 AFIX 43 H26A 2 0.568336 0.575611 0.850789 10.70000 -1.20000 AFIX 0 C27A 1 0.502537 0.588352 0.780700 10.70000 0.03531 0.02941 = 0.01863 -0.00586 0.00057 0.00447 AFIX 43 H27A 2 0.493471 0.636410 0.784708 10.70000 -1.20000 AFIX 66 PART 2 EADP C22C C23C C24C C25C C26C C27C C22C 1 0.488042 0.528561 0.727279 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 C23C 1 0.520101 0.478009 0.700262 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 AFIX 43 H23C 2 0.507968 0.477104 0.664237 10.30000 -1.20000 AFIX 65 C24C 1 0.569913 0.428780 0.725955 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 AFIX 43 H24C 2 0.591824 0.394230 0.707490 10.30000 -1.20000 AFIX 65 C25C 1 0.587666 0.430102 0.778666 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 AFIX 43 H25C 2 0.621711 0.396456 0.796226 10.30000 -1.20000 AFIX 65 C26C 1 0.555608 0.480654 0.805684 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 AFIX 43 H26C 2 0.567742 0.481558 0.841709 10.30000 -1.20000 AFIX 65 C27C 1 0.505796 0.529884 0.779991 10.30000 0.03787 0.06158 = 0.05397 0.01077 -0.00585 -0.00747 AFIX 43 H27C 2 0.483885 0.564434 0.798457 10.30000 -1.20000 AFIX 0 PART 0 C28A 1 0.327449 0.372803 0.702548 11.00000 0.01705 0.02054 = 0.01460 0.00077 0.00083 0.00012 C29A 1 0.382892 0.313377 0.722086 11.00000 0.01796 0.02200 = 0.01340 0.00230 0.00074 0.00607 AFIX 13 H29A 2 0.413066 0.327993 0.755623 11.00000 -1.20000 AFIX 0 C30A 1 0.440888 0.294523 0.687683 11.00000 0.02686 0.03022 = 0.02233 0.00529 0.00844 0.00879 AFIX 137 H30A 2 0.413916 0.271084 0.657180 11.00000 -1.50000 H30B 2 0.480429 0.263599 0.705976 11.00000 -1.50000 H30C 2 0.465446 0.336818 0.677869 11.00000 -1.50000 AFIX 0 C31A 1 0.334463 0.251120 0.731425 11.00000 0.01967 0.02316 = 0.01696 -0.00023 0.00349 0.00666 C32A 1 0.274679 0.228278 0.694240 11.00000 0.02864 0.03034 = 0.03424 0.00672 -0.00610 -0.00022 AFIX 43 H32A 2 0.263630 0.252129 0.662733 11.00000 -1.20000 AFIX 0 C33A 1 0.231202 0.171429 0.702508 11.00000 0.02688 0.03080 = 0.05635 -0.00218 -0.00650 0.00001 AFIX 43 H33A 2 0.189929 0.156863 0.676878 11.00000 -1.20000 AFIX 0 C34A 1 0.247129 0.135227 0.747933 11.00000 0.03167 0.02390 = 0.05906 0.00508 0.01761 0.00191 AFIX 43 H34A 2 0.216997 0.096021 0.753518 11.00000 -1.20000 AFIX 0 C35A 1 0.307542 0.156884 0.785132 11.00000 0.05134 0.02504 = 0.03254 0.00866 0.01665 0.00555 AFIX 43 H35A 2 0.319228 0.132071 0.816204 11.00000 -1.20000 AFIX 0 C36A 1 0.350909 0.214540 0.777167 11.00000 0.03232 0.02340 = 0.02293 0.00278 0.00608 0.00612 AFIX 43 H36A 2 0.391973 0.229270 0.802885 11.00000 -1.20000 AFIX 0 C37A 1 0.426633 0.333634 0.566692 11.00000 0.02603 0.03155 = 0.01332 0.00310 0.00838 0.00802 C38A 1 0.487105 0.284036 0.551587 11.00000 0.03305 0.02721 = 0.02452 0.00717 0.01425 0.01421 AFIX 13 H38A 2 0.466683 0.235721 0.552177 11.00000 -1.20000 AFIX 0 C39A 1 0.563511 0.287449 0.588158 11.00000 0.03482 0.06361 = 0.02848 0.01117 0.00989 0.02337 AFIX 137 H39A 2 0.601897 0.258946 0.575142 11.00000 -1.50000 H39B 2 0.556481 0.270002 0.621473 11.00000 -1.50000 H39C 2 0.581433 0.335600 0.591446 11.00000 -1.50000 AFIX 0 C40A 1 0.493222 0.301878 0.496642 11.00000 0.02492 0.02553 = 0.02473 0.00359 0.01024 0.01375 C41A 1 0.540369 0.355929 0.485998 11.00000 0.03179 0.03729 = 0.02853 0.00493 0.00999 0.00355 AFIX 43 H41A 2 0.568977 0.382403 0.512804 11.00000 -1.20000 AFIX 0 C42A 1 0.545278 0.371017 0.435116 11.00000 0.03633 0.04767 = 0.03966 0.01469 0.01829 0.00583 AFIX 43 H42A 2 0.577851 0.407424 0.427543 11.00000 -1.20000 AFIX 0 C43A 1 0.502969 0.333112 0.396331 11.00000 0.03576 0.06841 = 0.02540 0.01162 0.01351 0.02493 AFIX 43 H43A 2 0.506819 0.343313 0.362104 11.00000 -1.20000 AFIX 0 C44A 1 0.455651 0.281116 0.406658 11.00000 0.03608 0.04442 = 0.02840 -0.00204 0.00427 0.02065 AFIX 43 H44A 2 0.426226 0.255450 0.379715 11.00000 -1.20000 AFIX 0 C45A 1 0.450523 0.265657 0.456924 11.00000 0.02821 0.02670 = 0.03788 -0.00054 0.00711 0.01341 AFIX 43 H45A 2 0.417086 0.229602 0.463919 11.00000 -1.20000 AFIX 0 C46A 1 0.069248 0.563695 0.682272 11.00000 0.01964 0.02370 = 0.01129 0.00140 0.00250 0.00550 C47A 1 0.006217 0.613735 0.692270 11.00000 0.03369 0.03237 = 0.01906 -0.00080 0.00630 0.01556 AFIX 13 H47A 2 0.032451 0.655196 0.709933 11.00000 -1.20000 AFIX 0 C48A 1 -0.042666 0.581202 0.727788 11.00000 0.05003 0.07885 = 0.03697 0.01862 0.02377 0.03182 AFIX 137 H48A 2 -0.080185 0.615241 0.735755 11.00000 -1.50000 H48B 2 -0.009174 0.566585 0.759209 11.00000 -1.50000 H48C 2 -0.070107 0.540837 0.711266 11.00000 -1.50000 AFIX 0 C49A 1 -0.040044 0.638483 0.641631 11.00000 0.02191 0.02598 = 0.01954 -0.00246 0.00436 0.00951 C50A 1 -0.106812 0.605897 0.618704 11.00000 0.03427 0.03197 = 0.03583 -0.00059 0.00451 0.00061 AFIX 43 H50A 2 -0.125119 0.566627 0.634474 11.00000 -1.20000 AFIX 0 C51A 1 -0.147753 0.629883 0.572679 11.00000 0.03056 0.04909 = 0.03622 -0.00988 -0.00553 0.00349 AFIX 43 H51A 2 -0.194226 0.607431 0.557657 11.00000 -1.20000 AFIX 0 C52A 1 -0.121588 0.685337 0.549059 11.00000 0.04063 0.04551 = 0.02230 -0.00398 -0.00041 0.02400 AFIX 43 H52A 2 -0.149441 0.701248 0.517505 11.00000 -1.20000 AFIX 0 C53A 1 -0.054567 0.718244 0.571123 11.00000 0.04737 0.02849 = 0.03146 0.00466 0.00805 0.01096 AFIX 43 H53A 2 -0.035864 0.756713 0.554678 11.00000 -1.20000 AFIX 0 C54A 1 -0.014352 0.695075 0.617482 11.00000 0.02875 0.02451 = 0.02838 0.00052 0.00203 0.00445 AFIX 43 H54A 2 0.031387 0.718411 0.632790 11.00000 -1.20000 AFIX 0 C55A 1 0.255176 0.336934 0.460356 11.00000 0.01996 0.01712 = 0.01705 -0.00224 0.00236 -0.00186 AFIX 43 H55A 2 0.232743 0.310497 0.484015 11.00000 -1.20000 AFIX 0 C56A 1 0.244360 0.314136 0.409773 11.00000 0.02093 0.02242 = 0.01696 -0.00952 0.00149 -0.00464 AFIX 43 H56A 2 0.215640 0.273260 0.399667 11.00000 -1.20000 AFIX 0 C57A 1 0.276144 0.352135 0.375245 11.00000 0.02231 0.02277 = 0.01374 -0.00776 0.00196 -0.00037 AFIX 43 H57A 2 0.269807 0.337796 0.340783 11.00000 -1.20000 AFIX 0 C58A 1 0.318014 0.412251 0.391239 11.00000 0.01396 0.02539 = 0.01254 -0.00266 0.00184 0.00143 C59A 1 0.326686 0.431093 0.442758 11.00000 0.01206 0.01702 = 0.01247 -0.00243 0.00134 0.00363 C60A 1 0.370275 0.492178 0.460918 11.00000 0.01941 0.02164 = 0.01156 -0.00107 0.00512 -0.00809 C61A 1 0.352084 0.455177 0.356864 11.00000 0.02061 0.02721 = 0.01290 -0.00191 0.00510 0.00149 AFIX 43 H61A 2 0.345119 0.443344 0.321880 11.00000 -1.20000 AFIX 0 C62A 1 0.393476 0.511584 0.373583 11.00000 0.02558 0.02638 = 0.01607 0.00229 0.00965 0.00117 AFIX 43 H62A 2 0.416259 0.538472 0.350332 11.00000 -1.20000 AFIX 0 C63A 1 0.403962 0.532034 0.425879 11.00000 0.01984 0.02096 = 0.01883 -0.00115 0.00777 -0.00263 C64A 1 0.444976 0.591343 0.443979 11.00000 0.04077 0.03044 = 0.02696 -0.00267 0.01284 -0.01494 AFIX 43 H64A 2 0.468256 0.619598 0.421747 11.00000 -1.20000 AFIX 0 C65A 1 0.451226 0.608243 0.493999 11.00000 0.05877 0.03570 = 0.02806 -0.01190 0.01843 -0.03080 AFIX 43 H65A 2 0.478689 0.648620 0.506996 11.00000 -1.20000 AFIX 0 C66A 1 0.416773 0.565519 0.526086 11.00000 0.04302 0.03679 = 0.01774 -0.00962 0.00847 -0.02182 AFIX 43 H66A 2 0.421748 0.578016 0.560866 11.00000 -1.20000 AFIX 0 C67A 1 0.108633 0.324971 0.731002 11.00000 0.04113 0.02659 = 0.01871 0.00099 0.00562 -0.00880 AFIX 43 H67A 2 0.108680 0.310541 0.697040 11.00000 -1.20000 AFIX 0 C68A 1 0.080577 0.278474 0.763734 11.00000 0.05802 0.03239 = 0.02747 0.00184 0.00655 -0.02158 AFIX 43 H68A 2 0.062545 0.233855 0.752218 11.00000 -1.20000 AFIX 0 C69A 1 0.079749 0.298810 0.812664 11.00000 0.05151 0.03389 = 0.02289 0.00777 0.00753 -0.01616 AFIX 43 H69A 2 0.060752 0.268401 0.835587 11.00000 -1.20000 AFIX 0 C70A 1 0.107097 0.364768 0.828744 11.00000 0.02790 0.03328 = 0.01423 0.00513 0.00318 -0.00236 C71A 1 0.135995 0.408031 0.793308 11.00000 0.01655 0.02206 = 0.01277 0.00382 0.00350 0.00470 C72A 1 0.167816 0.474396 0.809209 11.00000 0.01676 0.01861 = 0.01469 0.00423 0.00178 0.00493 C73A 1 0.108749 0.389223 0.879399 11.00000 0.03298 0.04113 = 0.01450 0.00599 0.00664 -0.00122 AFIX 43 H73A 2 0.088304 0.360813 0.902889 11.00000 -1.20000 AFIX 0 C74A 1 0.138666 0.451711 0.894634 11.00000 0.03254 0.03765 = 0.01191 0.00082 0.00610 0.00690 AFIX 43 H74A 2 0.139832 0.466349 0.928679 11.00000 -1.20000 AFIX 0 C75A 1 0.168684 0.496102 0.859730 11.00000 0.02105 0.02446 = 0.01538 -0.00118 0.00216 0.00420 C76A 1 0.201952 0.561341 0.873901 11.00000 0.02901 0.03023 = 0.01535 -0.00615 0.00020 0.00955 AFIX 43 H76A 2 0.203757 0.578214 0.907463 11.00000 -1.20000 AFIX 0 C77A 1 0.231582 0.600107 0.838960 11.00000 0.02781 0.02167 = 0.02136 -0.00696 -0.00115 0.00290 AFIX 43 H77A 2 0.254130 0.644060 0.848122 11.00000 -1.20000 AFIX 0 C78A 1 0.228471 0.574645 0.789703 11.00000 0.02375 0.01758 = 0.01905 0.00106 0.00063 0.00167 AFIX 43 H78A 2 0.249720 0.601964 0.765966 11.00000 -1.20000 AFIX 0 EU1B 5 0.194463 0.480269 0.185835 11.00000 0.01801 0.01552 = 0.01206 -0.00218 0.00549 -0.00038 EU2B 5 0.291405 0.427565 0.070522 11.00000 0.01812 0.01560 = 0.00949 -0.00023 0.00336 0.00333 O1B 4 0.139980 0.377455 0.148185 11.00000 0.02371 0.01976 = 0.01717 -0.00315 0.00543 -0.00197 O2B 4 0.184108 0.355468 0.076226 11.00000 0.02341 0.02086 = 0.02005 -0.00488 0.00766 0.00093 O3B 4 0.303247 0.409436 0.157957 11.00000 0.01892 0.01794 = 0.01215 -0.00035 0.00380 0.00330 O4B 4 0.295339 0.406790 0.238957 11.00000 0.02205 0.02873 = 0.01079 -0.00118 0.00355 0.00095 O5B 4 0.301195 0.552524 0.181415 11.00000 0.02333 0.01979 = 0.02185 -0.00405 0.00883 -0.00225 O6B 4 0.352865 0.527190 0.112805 11.00000 0.02484 0.01976 = 0.01781 -0.00296 0.00840 -0.00444 O7B 4 0.183468 0.500874 0.097207 11.00000 0.01928 0.02055 = 0.01396 -0.00114 0.00355 0.00293 O8B 4 0.186470 0.487847 0.016161 11.00000 0.02700 0.02685 = 0.01408 -0.00089 0.00346 0.01142 O10B 4 0.132465 0.598520 0.173678 11.00000 0.03097 0.01587 = 0.02974 -0.00190 0.01498 -0.00158 O9B 4 0.055443 0.508860 0.172612 11.00000 0.02468 0.01799 = 0.03803 0.00284 0.01096 0.00150 O11B 4 0.421610 0.382960 0.063974 11.00000 0.02079 0.02251 = 0.02396 0.00034 0.00207 0.00551 O12B 4 0.341738 0.303988 0.082938 11.00000 0.02708 0.02263 = 0.01476 0.00194 0.00706 0.00798 N1B 3 0.136207 0.423407 0.259885 11.00000 0.01967 0.02824 = 0.01472 0.00212 0.00498 0.00188 N2B 3 0.210864 0.547133 0.271987 11.00000 0.02467 0.02826 = 0.02057 -0.00884 0.00957 -0.00013 N3B 3 0.281528 0.367565 -0.017148 11.00000 0.01701 0.02117 = 0.01287 -0.00217 0.00176 0.00271 N4B 3 0.343497 0.497556 0.000252 11.00000 0.01931 0.01975 = 0.01250 0.00322 0.00131 -0.00041 C1B 1 0.134670 0.350810 0.104759 11.00000 0.02169 0.01646 = 0.01735 -0.00093 0.00351 0.00264 C2B 1 0.059883 0.312337 0.082306 11.00000 0.02129 0.02344 = 0.02201 -0.00788 0.00254 -0.00448 AFIX 13 H2B 2 0.074476 0.271938 0.062532 11.00000 -1.20000 AFIX 0 C3B 1 0.012016 0.362543 0.044353 11.00000 0.02675 0.05407 = 0.02278 0.00466 0.00359 0.00102 AFIX 137 H3BA 2 0.041578 0.374982 0.017788 11.00000 -1.50000 H3BB 2 0.000414 0.404511 0.062260 11.00000 -1.50000 H3BC 2 -0.036351 0.340028 0.028902 11.00000 -1.50000 AFIX 0 C4B 1 0.013925 0.284686 0.120935 11.00000 0.02084 0.03081 = 0.02318 -0.00052 -0.00452 -0.00741 C5B 1 -0.025702 0.327192 0.149233 11.00000 0.02646 0.03844 = 0.02972 0.00329 0.00849 -0.00130 AFIX 43 H5B 2 -0.022194 0.376077 0.146027 11.00000 -1.20000 AFIX 0 C6B 1 -0.070865 0.299279 0.182500 11.00000 0.02765 0.07144 = 0.02777 0.00864 0.00564 -0.00205 AFIX 43 H6B 2 -0.097499 0.329202 0.201795 11.00000 -1.20000 AFIX 0 C7B 1 -0.076804 0.228406 0.187345 11.00000 0.03616 0.06540 = 0.03773 0.01976 -0.00126 -0.02021 AFIX 43 H7B 2 -0.107940 0.209395 0.209633 11.00000 -1.20000 AFIX 0 C8B 1 -0.037087 0.185092 0.159511 11.00000 0.05015 0.04104 = 0.05579 0.01690 -0.00589 -0.02330 AFIX 43 H8B 2 -0.041132 0.136224 0.162532 11.00000 -1.20000 AFIX 0 C9B 1 0.008579 0.213185 0.127237 11.00000 0.03658 0.03307 = 0.04378 0.00066 -0.00310 -0.00893 AFIX 43 H9B 2 0.036791 0.183123 0.109052 11.00000 -1.20000 AFIX 0 C10B 1 0.329302 0.389611 0.203497 11.00000 0.01898 0.01302 = 0.01150 0.00011 0.00207 -0.00247 C11B 1 0.404111 0.347665 0.212618 11.00000 0.01995 0.01900 = 0.01407 0.00017 0.00211 0.00024 AFIX 13 H11B 2 0.406946 0.320874 0.180980 11.00000 -1.20000 AFIX 0 C12B 1 0.406001 0.295790 0.256067 11.00000 0.02697 0.02638 = 0.02491 0.00874 0.00009 -0.00123 AFIX 137 H12D 2 0.363629 0.262530 0.247397 11.00000 -1.50000 H12E 2 0.400170 0.320591 0.287162 11.00000 -1.50000 H12F 2 0.455414 0.271010 0.261483 11.00000 -1.50000 AFIX 0 C13B 1 0.471877 0.398097 0.221321 11.00000 0.01668 0.02089 = 0.01788 0.00476 0.00082 0.00471 C14B 1 0.486234 0.439257 0.264699 11.00000 0.01833 0.02792 = 0.02452 -0.00262 0.00196 -0.00056 AFIX 43 H14B 2 0.452648 0.436379 0.288886 11.00000 -1.20000 AFIX 0 C15B 1 0.548168 0.484093 0.273278 11.00000 0.02572 0.02961 = 0.03456 -0.00008 -0.00404 -0.00200 AFIX 43 H15B 2 0.556326 0.512538 0.302723 11.00000 -1.20000 AFIX 0 C16B 1 0.598803 0.487555 0.238590 11.00000 0.01982 0.03008 = 0.05290 0.01221 -0.00088 -0.00619 AFIX 43 H16B 2 0.642595 0.517181 0.244783 11.00000 -1.20000 AFIX 0 C17B 1 0.584748 0.447570 0.195184 11.00000 0.02543 0.03643 = 0.03699 0.01385 0.01172 0.00119 AFIX 43 H17B 2 0.618497 0.450487 0.171100 11.00000 -1.20000 AFIX 0 C18B 1 0.521877 0.403211 0.186404 11.00000 0.02476 0.02474 = 0.02371 0.00709 0.00730 0.00410 AFIX 43 H18B 2 0.512801 0.376060 0.156319 11.00000 -1.20000 AFIX 0 C19B 1 0.354585 0.554921 0.155748 11.00000 0.02049 0.01358 = 0.01854 -0.00015 0.00474 0.00014 C20B 1 0.430331 0.590951 0.179559 11.00000 0.01842 0.01887 = 0.01817 0.00043 0.00307 -0.00081 AFIX 13 H20B 2 0.471313 0.554440 0.183472 11.00000 -1.20000 AFIX 0 C21B 1 0.427968 0.618476 0.233279 11.00000 0.03163 0.02898 = 0.01858 -0.00594 0.00406 -0.00618 AFIX 137 H21D 2 0.389716 0.655767 0.231338 11.00000 -1.50000 H21E 2 0.478990 0.636406 0.248298 11.00000 -1.50000 H21F 2 0.413694 0.580783 0.254413 11.00000 -1.50000 AFIX 0 C22B 1 0.455405 0.646491 0.145609 11.00000 0.02125 0.02096 = 0.01838 -0.00110 0.00316 -0.00689 C23B 1 0.430181 0.714535 0.146837 11.00000 0.03954 0.02485 = 0.04307 0.00663 0.01601 0.00107 AFIX 43 H23B 2 0.393632 0.726331 0.167763 11.00000 -1.20000 AFIX 0 C24B 1 0.457710 0.766012 0.117758 11.00000 0.05117 0.02818 = 0.04925 0.01364 0.00623 -0.00292 AFIX 43 H24B 2 0.439708 0.812312 0.118934 11.00000 -1.20000 AFIX 0 C25B 1 0.510691 0.749663 0.087547 11.00000 0.05516 0.04748 = 0.02184 0.00694 0.00373 -0.02787 AFIX 43 H25B 2 0.529767 0.784580 0.067929 11.00000 -1.20000 AFIX 0 C26B 1 0.535878 0.682835 0.085832 11.00000 0.05244 0.05417 = 0.02577 -0.00958 0.01808 -0.02473 AFIX 43 H26B 2 0.572732 0.671472 0.065024 11.00000 -1.20000 AFIX 0 C27B 1 0.507989 0.631140 0.114346 11.00000 0.03415 0.03129 = 0.02031 -0.00607 0.00968 -0.01038 AFIX 43 H27B 2 0.525376 0.584782 0.112241 11.00000 -1.20000 AFIX 0 C28B 1 0.159424 0.517282 0.051012 11.00000 0.01932 0.01997 = 0.01628 -0.00025 0.00374 0.00018 C29B 1 0.102515 0.576430 0.038051 11.00000 0.02880 0.03001 = 0.01784 -0.00043 0.00525 0.01258 AFIX 13 H29B 2 0.079757 0.587592 0.068869 11.00000 -1.20000 AFIX 0 C30B 1 0.036821 0.554169 -0.004657 11.00000 0.03081 0.03971 = 0.03384 -0.00073 -0.00225 0.01411 AFIX 137 H30D 2 0.001151 0.593034 -0.013573 11.00000 -1.50000 H30E 2 0.008943 0.514971 0.006912 11.00000 -1.50000 H30F 2 0.058503 0.540314 -0.034528 11.00000 -1.50000 AFIX 0 C31B 1 0.148857 0.638722 0.025631 11.00000 0.03346 0.02175 = 0.02235 0.00064 0.00752 0.01312 C32B 1 0.138239 0.667817 -0.023019 11.00000 0.05095 0.03526 = 0.02119 0.00404 0.00637 0.01611 AFIX 43 H32B 2 0.099407 0.649825 -0.048933 11.00000 -1.20000 AFIX 0 C33B 1 0.183776 0.722612 -0.033807 11.00000 0.07490 0.03844 = 0.03697 0.01537 0.02275 0.01429 AFIX 43 H33B 2 0.175435 0.742489 -0.066811 11.00000 -1.20000 AFIX 0 C34B 1 0.241429 0.748409 0.003491 11.00000 0.06971 0.02934 = 0.06403 0.01100 0.02775 0.00064 AFIX 43 H34B 2 0.273891 0.784868 -0.004140 11.00000 -1.20000 AFIX 0 C35B 1 0.251511 0.720563 0.052251 11.00000 0.05953 0.03628 = 0.05091 0.00109 0.00089 -0.00479 AFIX 43 H35B 2 0.290050 0.738853 0.078222 11.00000 -1.20000 AFIX 0 C36B 1 0.205346 0.666192 0.062894 11.00000 0.05147 0.02807 = 0.02714 0.00204 0.00536 0.00298 AFIX 43 H36B 2 0.212566 0.647494 0.096249 11.00000 -1.20000 AFIX 0 C37B 1 0.065758 0.573158 0.172964 11.00000 0.02838 0.01864 = 0.02411 0.00183 0.01388 0.00009 C38B 1 -0.002815 0.622513 0.172644 11.00000 0.03510 0.02172 = 0.04364 0.00566 0.02400 0.00706 AFIX 13 H38B 2 0.016908 0.667409 0.188540 11.00000 -1.50000 AFIX 0 C39B 1 -0.060402 0.591720 0.203368 11.00000 0.03920 0.03518 = 0.04184 0.00689 0.02562 0.00539 AFIX 137 H39D 2 -0.105828 0.621861 0.200483 11.00000 -1.50000 H39E 2 -0.035978 0.587999 0.239107 11.00000 -1.50000 H39F 2 -0.076281 0.545580 0.190190 11.00000 -1.50000 AFIX 0 PART 1 C40B 1 -0.042097 0.636705 0.115187 10.70000 0.02496 0.01765 = 0.03111 0.00636 0.01778 0.00978 C41B 1 -0.099552 0.596097 0.088607 10.70000 0.03629 0.02369 = 0.03414 0.00561 0.01024 -0.00039 AFIX 43 H41B 2 -0.116232 0.556199 0.104505 10.70000 -1.20000 AFIX 0 C42B 1 -0.134134 0.611949 0.038755 10.70000 0.03012 0.03982 = 0.03426 0.00250 0.00109 -0.00110 AFIX 43 H42B 2 -0.173387 0.582699 0.021202 10.70000 -1.20000 AFIX 0 C43B 1 -0.111305 0.670045 0.015021 10.70000 0.03511 0.03626 = 0.02834 0.00700 0.00780 0.01239 AFIX 43 H43B 2 -0.135572 0.681883 -0.018445 10.70000 -1.20000 AFIX 0 C44B 1 -0.052628 0.710559 0.040801 10.70000 0.04168 0.01932 = 0.02949 0.01140 0.01562 0.00398 AFIX 43 H44B 2 -0.035831 0.750145 0.024602 10.70000 -1.20000 AFIX 0 C45B 1 -0.018012 0.694499 0.089677 10.70000 0.03143 0.01855 = 0.02817 -0.00039 0.01258 0.00214 AFIX 43 H45B 2 0.022760 0.722836 0.106467 10.70000 -1.20000 AFIX 66 PART 2 EADP C40D C41D C42D C43D C44D C45D C40D 1 -0.026665 0.647496 0.125963 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 C41D 1 -0.091116 0.614327 0.098908 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 AFIX 43 H41D 2 -0.114457 0.577145 0.113969 10.30000 -1.20000 AFIX 65 C42D 1 -0.121416 0.635561 0.049817 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 AFIX 43 H42D 2 -0.165466 0.612891 0.031327 10.30000 -1.20000 AFIX 65 C43D 1 -0.087265 0.689964 0.027781 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 AFIX 43 H43D 2 -0.107974 0.704476 -0.005771 10.30000 -1.20000 AFIX 65 C44D 1 -0.022813 0.723133 0.054835 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 AFIX 43 H44D 2 0.000527 0.760315 0.039774 10.30000 -1.20000 AFIX 65 C45D 1 0.007487 0.701900 0.103926 10.30000 0.04056 0.03587 = 0.04439 0.00928 0.02222 0.01244 AFIX 43 H45D 2 0.051537 0.724569 0.122417 10.30000 -1.20000 AFIX 0 PART 0 C46B 1 0.402832 0.319177 0.067587 11.00000 0.02108 0.02405 = 0.01120 -0.00115 0.00119 0.00469 C47B 1 0.455656 0.263398 0.052021 11.00000 0.02707 0.02834 = 0.01818 -0.00137 0.00804 0.00941 AFIX 13 H47B 2 0.469326 0.277632 0.018728 11.00000 -1.20000 AFIX 0 C48B 1 0.416023 0.193024 0.044413 11.00000 0.02883 0.02962 = 0.02970 -0.01032 0.00055 0.00829 AFIX 137 H48D 2 0.370532 0.196479 0.017556 11.00000 -1.50000 H48E 2 0.400011 0.178460 0.076131 11.00000 -1.50000 H48F 2 0.452033 0.158864 0.034659 11.00000 -1.50000 AFIX 0 C49B 1 0.530463 0.262385 0.091127 11.00000 0.02190 0.01782 = 0.02746 -0.00169 0.00380 0.00693 C50B 1 0.532296 0.232852 0.138682 11.00000 0.03104 0.02445 = 0.02766 0.00126 -0.00001 0.00494 AFIX 43 H50B 2 0.487553 0.210991 0.146778 11.00000 -1.20000 AFIX 0 C51B 1 0.600098 0.235430 0.174489 11.00000 0.04680 0.03128 = 0.03361 -0.00043 -0.01023 0.01114 AFIX 43 H51B 2 0.601658 0.215255 0.207059 11.00000 -1.20000 AFIX 0 C52B 1 0.665550 0.267601 0.162486 11.00000 0.02767 0.03407 = 0.06737 -0.01561 -0.01391 0.00972 AFIX 43 H52B 2 0.711644 0.269653 0.186964 11.00000 -1.20000 AFIX 0 C53B 1 0.663490 0.296379 0.115252 11.00000 0.02692 0.03051 = 0.07268 -0.00732 0.01086 0.00153 AFIX 43 H53B 2 0.708150 0.318256 0.107042 11.00000 -1.20000 AFIX 0 C54B 1 0.596600 0.293450 0.079854 11.00000 0.02787 0.02816 = 0.04865 -0.00004 0.01331 0.00543 AFIX 43 H54B 2 0.595735 0.313034 0.047164 11.00000 -1.20000 AFIX 0 C55B 1 0.100395 0.363082 0.254957 11.00000 0.02681 0.03603 = 0.02030 0.00193 0.00595 -0.00491 AFIX 43 H55B 2 0.097612 0.339122 0.223655 11.00000 -1.20000 AFIX 0 C56B 1 0.066108 0.332004 0.293043 11.00000 0.03715 0.03737 = 0.03045 0.00804 0.01146 -0.00769 AFIX 43 H56B 2 0.040211 0.288766 0.287294 11.00000 -1.20000 AFIX 0 C57B 1 0.070893 0.365671 0.338946 11.00000 0.03430 0.04646 = 0.02221 0.01087 0.01139 0.00293 AFIX 43 H57B 2 0.048280 0.345798 0.365388 11.00000 -1.20000 AFIX 0 C58B 1 0.109247 0.429236 0.346286 11.00000 0.02282 0.04256 = 0.01591 0.00491 0.00531 0.00770 C59B 1 0.141466 0.457176 0.305764 11.00000 0.01878 0.03496 = 0.01347 -0.00040 0.00131 0.00743 C60B 1 0.181643 0.521818 0.312286 11.00000 0.01848 0.03283 = 0.01434 -0.00324 0.00257 0.00760 C61B 1 0.120659 0.465596 0.394201 11.00000 0.03426 0.04840 = 0.01453 0.00681 0.00875 0.01628 AFIX 43 H61B 2 0.100410 0.446535 0.421910 11.00000 -1.20000 AFIX 0 C62B 1 0.159433 0.525958 0.400320 11.00000 0.03213 0.05274 = 0.01202 -0.00307 0.00337 0.01837 AFIX 43 H62B 2 0.166448 0.548570 0.432351 11.00000 -1.20000 AFIX 0 C63B 1 0.190458 0.556877 0.359246 11.00000 0.02209 0.03935 = 0.01800 -0.00577 0.00275 0.01254 C64B 1 0.229890 0.619923 0.363940 11.00000 0.02925 0.04772 = 0.02576 -0.01967 0.00254 0.00839 AFIX 43 H64B 2 0.237266 0.644555 0.395171 11.00000 -1.20000 AFIX 0 C65B 1 0.257825 0.645908 0.323111 11.00000 0.03935 0.03582 = 0.04033 -0.02073 0.01303 -0.00724 AFIX 43 H65B 2 0.283960 0.689196 0.325476 11.00000 -1.20000 AFIX 0 C66B 1 0.247423 0.607810 0.277565 11.00000 0.03290 0.03519 = 0.03052 -0.01631 0.01344 -0.00770 AFIX 43 H66B 2 0.267386 0.626213 0.249530 11.00000 -1.20000 AFIX 0 C67B 1 0.248915 0.305884 -0.026141 11.00000 0.02813 0.02185 = 0.01918 -0.00159 0.00400 0.00278 AFIX 43 H67B 2 0.225400 0.285159 -0.000420 11.00000 -1.20000 AFIX 0 C68B 1 0.247404 0.269528 -0.071987 11.00000 0.03436 0.02620 = 0.02435 -0.00996 0.00180 -0.00252 AFIX 43 H68B 2 0.224203 0.225013 -0.076868 11.00000 -1.20000 AFIX 0 C69B 1 0.280245 0.299985 -0.109373 11.00000 0.03544 0.03552 = 0.01616 -0.01137 0.00156 0.00763 AFIX 43 H69B 2 0.280350 0.276372 -0.140536 11.00000 -1.20000 AFIX 0 C70B 1 0.313543 0.365669 -0.101714 11.00000 0.02223 0.03222 = 0.01484 -0.00255 0.00372 0.00651 C71B 1 0.313702 0.398533 -0.054367 11.00000 0.01841 0.02467 = 0.01280 -0.00073 0.00281 0.00522 C72B 1 0.345748 0.466857 -0.045225 11.00000 0.01874 0.02165 = 0.01451 0.00515 0.00330 0.00324 C73B 1 0.345915 0.401945 -0.140345 11.00000 0.02917 0.04740 = 0.01253 -0.00049 0.00634 0.01020 AFIX 43 H73B 2 0.346300 0.380211 -0.172179 11.00000 -1.20000 AFIX 0 C74B 1 0.375224 0.465351 -0.132061 11.00000 0.02794 0.04688 = 0.01798 0.00776 0.00920 0.00588 AFIX 43 H74B 2 0.396218 0.487933 -0.158161 11.00000 -1.20000 AFIX 0 C75B 1 0.375892 0.500551 -0.084517 11.00000 0.01814 0.04028 = 0.01450 0.00929 0.00438 0.00166 C76B 1 0.401902 0.569139 -0.075967 11.00000 0.02561 0.03999 = 0.02419 0.01267 0.00544 -0.00604 AFIX 43 H76B 2 0.422856 0.593426 -0.101345 11.00000 -1.20000 AFIX 0 C77B 1 0.396826 0.600635 -0.030875 11.00000 0.02694 0.02770 = 0.02741 0.00844 0.00115 -0.00711 AFIX 43 H77B 2 0.412557 0.647467 -0.024995 11.00000 -1.20000 AFIX 0 C78B 1 0.368059 0.562822 0.006588 11.00000 0.02569 0.02319 = 0.01901 0.00164 0.00267 -0.00185 AFIX 43 H78B 2 0.365981 0.584871 0.038088 11.00000 -1.20000 AFIX 0 O1L 4 0.283114 0.194847 0.558281 11.00000 0.03504 0.02943 = 0.05272 0.01548 -0.00857 -0.00327 H1OL 2 0.313545 0.227183 0.560740 11.00000 -1.50000 O2L 4 0.391110 0.145348 0.599645 11.00000 0.02810 0.04273 = 0.05623 0.01428 -0.00074 0.00477 C1L 1 0.323780 0.141927 0.580173 11.00000 0.03768 0.03105 = 0.04018 0.01276 0.00378 0.00395 C2L 1 0.276870 0.075562 0.577525 11.00000 0.04120 0.03827 = 0.06002 0.02308 -0.00803 -0.00096 AFIX 13 H2L 2 0.222076 0.087936 0.579044 11.00000 -1.20000 AFIX 0 C3L 1 0.306891 0.027762 0.622270 11.00000 0.05768 0.04390 = 0.06800 0.02568 -0.00631 -0.00329 AFIX 137 H3LA 2 0.270713 -0.010747 0.622888 11.00000 -1.50000 H3LB 2 0.311582 0.053946 0.654062 11.00000 -1.50000 H3LC 2 0.357606 0.009475 0.618516 11.00000 -1.50000 AFIX 0 C4L 1 0.278677 0.038650 0.528472 11.00000 0.06694 0.03676 = 0.06711 0.02335 -0.02083 -0.00087 C5L 1 0.219536 -0.006898 0.508503 11.00000 0.11809 0.03900 = 0.11065 0.02034 -0.03285 -0.02592 AFIX 43 H5L 2 0.176799 -0.013857 0.525338 11.00000 -1.20000 AFIX 0 C6L 1 0.223894 -0.042265 0.463328 11.00000 0.21274 0.03396 = 0.12745 -0.00398 -0.06616 -0.01579 AFIX 43 H6L 2 0.183703 -0.073782 0.450497 11.00000 -1.20000 AFIX 0 C7L 1 0.282899 -0.033743 0.436843 11.00000 0.21112 0.07124 = 0.09013 -0.00990 -0.04146 0.05983 AFIX 43 H7L 2 0.282906 -0.057268 0.405634 11.00000 -1.20000 AFIX 0 C8L 1 0.342721 0.010148 0.456747 11.00000 0.12151 0.11054 = 0.07475 -0.00922 -0.03360 0.03907 AFIX 43 H8L 2 0.385751 0.016415 0.440078 11.00000 -1.20000 AFIX 0 C9L 1 0.338398 0.045142 0.502044 11.00000 0.08114 0.07155 = 0.05622 -0.00242 -0.03089 0.02589 AFIX 43 H9L 2 0.379628 0.075387 0.515316 11.00000 -1.20000 AFIX 0 O3L 4 0.824741 0.212732 0.339029 11.00000 0.04185 0.03115 = 0.05124 -0.01632 -0.01318 0.01957 H3OL 2 0.833039 0.175156 0.327884 11.00000 -1.50000 O4L 4 0.723962 0.210619 0.278270 11.00000 0.07286 0.04237 = 0.06695 -0.02151 -0.03916 0.02504 C10L 1 0.760081 0.237561 0.314469 11.00000 0.03240 0.02012 = 0.02538 0.00171 0.00045 0.00239 C11L 1 0.736595 0.304525 0.338224 11.00000 0.03534 0.02148 = 0.02974 0.00411 0.00931 0.00903 AFIX 13 H11L 2 0.737544 0.295467 0.375148 11.00000 -1.20000 AFIX 0 C12L 1 0.654205 0.325108 0.314750 11.00000 0.02918 0.03209 = 0.06959 0.00980 0.01715 0.00725 AFIX 137 H12G 2 0.651538 0.334367 0.278452 11.00000 -1.50000 H12H 2 0.639426 0.366907 0.331559 11.00000 -1.50000 H12I 2 0.618799 0.287253 0.319180 11.00000 -1.50000 AFIX 0 C13L 1 0.795455 0.360740 0.334030 11.00000 0.02891 0.02427 = 0.03426 -0.00266 0.00639 0.01058 C14L 1 0.798564 0.392904 0.287769 11.00000 0.04475 0.02638 = 0.04286 -0.00074 0.01316 -0.00173 AFIX 43 H14L 2 0.763301 0.379544 0.258290 11.00000 -1.20000 AFIX 0 C15L 1 0.852546 0.444136 0.284366 11.00000 0.04634 0.04008 = 0.06247 0.00434 0.01844 0.00049 AFIX 43 H15L 2 0.854346 0.465122 0.252454 11.00000 -1.20000 AFIX 0 C16L 1 0.903020 0.464812 0.326092 11.00000 0.04127 0.03770 = 0.08558 -0.01149 0.01709 -0.00566 AFIX 43 H16L 2 0.939687 0.500152 0.323314 11.00000 -1.20000 AFIX 0 C17L 1 0.900862 0.434692 0.371916 11.00000 0.03359 0.05882 = 0.06760 -0.02025 -0.00398 -0.00630 AFIX 43 H17L 2 0.935772 0.449520 0.401135 11.00000 -1.20000 AFIX 0 C18L 1 0.847005 0.381494 0.376296 11.00000 0.03610 0.04562 = 0.04087 -0.00890 0.00016 0.00853 AFIX 43 H18L 2 0.846342 0.360141 0.408230 11.00000 -1.20000 AFIX 0 PART 1 O5L 4 0.136671 0.733982 0.173716 10.70000 0.03596 0.01857 = 0.06492 -0.00742 0.00643 -0.00281 H5OL 2 0.136192 0.692103 0.176535 10.70000 -1.50000 O6L 4 0.264698 0.733548 0.190253 10.70000 0.02898 0.03139 = 0.05341 0.00071 0.01096 0.00382 C19L 1 0.205168 0.765130 0.182309 10.70000 0.02906 0.03114 = 0.04257 -0.00681 0.01084 -0.00285 C20L 1 0.196263 0.842520 0.182273 10.70000 0.03834 0.02838 = 0.06793 -0.01005 0.01251 -0.01399 AFIX 13 H20L 2 0.149384 0.855197 0.157084 10.70000 -1.20000 AFIX 0 C21L 1 0.267493 0.876360 0.165655 10.70000 0.08726 0.02692 = 0.17970 0.00440 0.06940 -0.01216 AFIX 137 H21G 2 0.270023 0.862616 0.130700 10.70000 -1.50000 H21H 2 0.314445 0.861032 0.188238 10.70000 -1.50000 H21I 2 0.263214 0.926909 0.167479 10.70000 -1.50000 AFIX 66 EADP C22L C23L C24L C25L C26L C27L C22L 1 0.181967 0.861498 0.235212 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 C23L 1 0.238089 0.850079 0.277863 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 AFIX 43 H23L 2 0.286997 0.831808 0.274180 10.70000 -1.20000 AFIX 65 C24L 1 0.222652 0.865392 0.325902 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 AFIX 43 H24L 2 0.261010 0.857587 0.355052 10.70000 -1.20000 AFIX 65 C25L 1 0.151093 0.892124 0.331291 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 AFIX 43 H25L 2 0.140543 0.902590 0.364124 10.70000 -1.20000 AFIX 65 C26L 1 0.094970 0.903544 0.288641 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 AFIX 43 H26L 2 0.046063 0.921815 0.292325 10.70000 -1.20000 AFIX 65 C27L 1 0.110406 0.888232 0.240601 10.70000 0.05599 0.08034 = 0.10549 -0.04205 0.01197 0.00212 AFIX 43 H27L 2 0.072049 0.896037 0.211452 10.70000 -1.20000 AFIX 0 PART 2 O5K 4 0.204804 0.717135 0.195407 10.30000 0.04083 0.01499 = 0.03044 0.00401 0.00967 -0.00653 H5OK 2 0.183498 0.680293 0.192232 10.30000 -1.50000 O6K 4 0.130076 0.739323 0.253295 10.30000 0.09276 0.02350 = 0.04116 -0.00689 0.03916 -0.01208 C19K 1 0.176678 0.758318 0.228390 10.30000 0.07601 0.01742 = 0.03065 -0.00007 0.00773 -0.00705 C20K 1 0.210022 0.833068 0.226554 10.30000 0.09435 0.06066 = 0.02540 -0.01104 0.00841 -0.05550 AFIX 13 H20K 2 0.267280 0.830746 0.228444 10.30000 -1.20000 AFIX 0 C21K 1 0.191654 0.875175 0.269392 10.30000 0.08726 0.02692 = 0.17970 0.00440 0.06940 -0.01216 AFIX 33 H21J 2 0.215261 0.853851 0.301629 10.30000 -1.50000 H21K 2 0.212063 0.922172 0.267388 10.30000 -1.50000 H21L 2 0.135513 0.877292 0.267432 10.30000 -1.50000 AFIX 66 EADP C21L C21K EADP C22K C23K C24K C25K C26K C27K C22K 1 0.174423 0.865511 0.178709 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 C23K 1 0.197439 0.856488 0.131963 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 AFIX 43 H23K 2 0.243082 0.831135 0.129798 10.30000 -1.20000 AFIX 65 C24K 1 0.153673 0.884561 0.088383 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 AFIX 43 H24K 2 0.169404 0.878393 0.056434 10.30000 -1.20000 AFIX 65 C25K 1 0.086891 0.921657 0.091550 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 AFIX 43 H25K 2 0.056979 0.940843 0.061766 10.30000 -1.20000 AFIX 65 C26K 1 0.063874 0.930680 0.138297 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 AFIX 43 H26K 2 0.018231 0.956034 0.140461 10.30000 -1.20000 AFIX 65 C27K 1 0.107639 0.902608 0.181876 10.30000 0.08432 0.05016 = 0.14120 0.00726 -0.02256 -0.01847 AFIX 43 H27K 2 0.091908 0.908776 0.213825 10.30000 -1.20000 AFIX 0 PART 0 O7L 4 0.530851 0.466435 0.044412 11.00000 0.02736 0.03022 = 0.04816 -0.00644 0.00849 -0.00180 H7OL 2 0.497110 0.437825 0.046778 11.00000 -1.50000 O8L 4 0.550269 0.408687 -0.024412 11.00000 0.06385 0.04344 = 0.03208 -0.00977 0.00356 -0.00895 C28L 1 0.566019 0.455191 0.005416 11.00000 0.03357 0.02743 = 0.03011 0.00404 -0.00059 0.00415 C29L 1 0.631187 0.507813 0.004909 11.00000 0.04619 0.02935 = 0.03211 0.00340 0.00966 -0.00034 AFIX 13 H29L 2 0.612000 0.554387 0.013444 11.00000 -1.20000 AFIX 0 C30L 1 0.654152 0.512381 -0.047500 11.00000 0.07728 0.06896 = 0.03288 0.01228 0.01403 -0.00853 AFIX 137 H30G 2 0.669300 0.466359 -0.057787 11.00000 -1.50000 H30H 2 0.697685 0.544448 -0.046209 11.00000 -1.50000 H30I 2 0.610212 0.529269 -0.072144 11.00000 -1.50000 AFIX 0 C31L 1 0.696990 0.486967 0.047113 11.00000 0.03077 0.02686 = 0.03282 0.00121 0.01103 -0.00268 C32L 1 0.699081 0.513858 0.095781 11.00000 0.02472 0.04424 = 0.03425 -0.00628 0.01102 0.00033 AFIX 43 H32L 2 0.661550 0.547009 0.101482 11.00000 -1.20000 AFIX 0 C33L 1 0.755258 0.492819 0.135965 11.00000 0.02823 0.04954 = 0.03621 -0.00892 0.00993 -0.00301 AFIX 43 H33L 2 0.755909 0.511554 0.168892 11.00000 -1.20000 AFIX 0 C34L 1 0.810124 0.444790 0.128213 11.00000 0.02730 0.04241 = 0.04490 -0.00051 0.00385 -0.00158 AFIX 43 H34L 2 0.848249 0.429889 0.155742 11.00000 -1.20000 AFIX 0 C35L 1 0.809137 0.418607 0.080161 11.00000 0.03246 0.03743 = 0.05382 -0.01010 0.00962 0.00367 AFIX 43 H35L 2 0.847476 0.386188 0.074587 11.00000 -1.20000 AFIX 0 C36L 1 0.753226 0.438831 0.040030 11.00000 0.04269 0.03618 = 0.03719 -0.00963 0.01543 -0.00334 AFIX 43 H36L 2 0.753080 0.419751 0.007263 11.00000 -1.20000 AFIX 0 O9L 4 0.312380 0.199453 0.143340 11.00000 0.05036 0.05655 = 0.03858 0.01869 0.01133 -0.00041 H9OL 2 0.318986 0.232582 0.123887 11.00000 -1.50000 O10L 4 0.196347 0.180867 0.099476 11.00000 0.07028 0.06174 = 0.09162 0.03643 -0.02351 -0.01243 C37L 1 0.247086 0.165025 0.133046 11.00000 0.04953 0.03396 = 0.04151 0.00139 0.00592 0.00759 C38L 1 0.244037 0.103813 0.168513 11.00000 0.05744 0.02772 = 0.04107 0.00703 0.01758 0.01199 AFIX 13 H38L 2 0.287034 0.071646 0.164200 11.00000 -1.20000 AFIX 0 C39L 1 0.166801 0.063240 0.153505 11.00000 0.09283 0.03419 = 0.05990 -0.00456 0.00883 -0.01559 AFIX 137 H39G 2 0.163657 0.044313 0.119198 11.00000 -1.50000 H39H 2 0.123214 0.094651 0.154297 11.00000 -1.50000 H39I 2 0.164956 0.025237 0.177583 11.00000 -1.50000 AFIX 0 C40L 1 0.256132 0.125191 0.223882 11.00000 0.03090 0.03045 = 0.03770 0.00246 0.01544 0.00042 C41L 1 0.303415 0.086240 0.260415 11.00000 0.05236 0.05097 = 0.04821 0.01526 0.02168 0.02075 AFIX 43 H41L 2 0.330825 0.047695 0.250358 11.00000 -1.20000 AFIX 0 C42L 1 0.311008 0.103176 0.311651 11.00000 0.04946 0.07756 = 0.04031 0.01362 0.01319 0.00835 AFIX 43 H42L 2 0.343432 0.076298 0.336455 11.00000 -1.20000 AFIX 0 C43L 1 0.271214 0.159182 0.326228 11.00000 0.04109 0.06280 = 0.04505 -0.01045 0.01837 -0.01559 AFIX 43 H43L 2 0.276192 0.170729 0.361181 11.00000 -1.20000 AFIX 0 C44L 1 0.224785 0.198061 0.290768 11.00000 0.04222 0.04079 = 0.05332 -0.01550 0.01938 -0.01064 AFIX 43 H44L 2 0.197526 0.236458 0.301195 11.00000 -1.20000 AFIX 0 C45L 1 0.217032 0.181873 0.239340 11.00000 0.02983 0.02691 = 0.05240 -0.00474 0.00919 -0.00407 AFIX 43 H45L 2 0.185055 0.209528 0.214826 11.00000 -1.20000 AFIX 0 HKLF 4 REM mo_IBBTB173_0m_a_a.res in P2(1) REM R1 = 0.0317 for 48876 Fo > 4sig(Fo) and 0.0410 for all 54633 data REM 2292 parameters refined using 18 restraints END WGHT 0.0277 5.1863 REM Highest difference peak 1.895, deepest hole -1.175, 1-sigma level 0.099 Q1 1 0.2770 0.4091 0.5678 11.00000 0.05 1.89 Q2 1 0.2217 0.4974 0.6903 11.00000 0.05 1.63 Q3 1 0.2572 0.3966 0.0633 11.00000 0.05 1.49 Q4 1 0.2314 0.4646 0.1925 11.00000 0.05 1.36 Q5 1 0.0832 0.4336 0.7930 11.00000 0.05 1.29 Q6 1 0.2743 0.4522 0.5669 11.00000 0.05 1.23 Q7 1 0.2365 0.4992 0.1939 11.00000 0.05 1.19 Q8 1 0.2948 0.5234 0.5702 11.00000 0.05 1.11 Q9 1 0.3398 0.4174 0.0815 11.00000 0.05 1.08 Q10 1 0.1996 0.3825 0.1859 11.00000 0.05 1.01 Q11 1 0.3388 0.4356 0.0840 11.00000 0.05 1.01 Q12 1 0.4146 0.4777 0.4544 11.00000 0.05 0.95 Q13 1 0.1965 0.3891 0.6814 11.00000 0.05 0.89 Q14 1 0.5773 0.4691 0.6316 11.00000 0.05 0.84 Q15 1 0.2561 0.4527 0.0638 11.00000 0.05 0.83 Q16 1 0.3025 0.5198 0.0705 11.00000 0.05 0.82 Q17 1 0.4172 0.4729 -0.0451 11.00000 0.05 0.82 Q18 1 0.0939 0.4264 0.3029 11.00000 0.05 0.81 Q19 1 0.0977 0.5223 0.8002 11.00000 0.05 0.76 Q20 1 0.1434 0.4818 0.6690 11.00000 0.05 0.66 Q21 1 0.0779 0.9200 0.1046 11.00000 0.05 0.65 Q22 1 0.1160 0.8874 0.2529 11.00000 0.05 0.63 Q23 1 0.2419 0.8883 0.2610 11.00000 0.05 0.61 Q24 1 0.4058 0.3791 0.4569 11.00000 0.05 0.61 Q25 1 0.3813 0.4835 -0.0500 11.00000 0.05 0.61 Q26 1 0.1413 0.4479 0.8007 11.00000 0.05 0.59 Q27 1 0.3401 0.4157 0.5866 11.00000 0.05 0.57 Q28 1 0.2207 0.8503 0.2843 11.00000 0.05 0.56 Q29 1 0.3181 0.4266 0.6524 11.00000 0.05 0.54 Q30 1 0.1043 0.8905 0.1536 11.00000 0.05 0.52 Q31 1 0.2252 0.9273 0.3013 11.00000 0.05 0.48 Q32 1 0.2583 0.2080 0.1161 11.00000 0.05 0.47 Q33 1 0.2008 0.4321 0.1884 11.00000 0.05 0.46 Q34 1 0.3575 0.4572 0.5764 11.00000 0.05 0.46 Q35 1 0.0980 0.5319 0.3022 11.00000 0.05 0.45 Q36 1 0.3590 0.3173 0.0718 11.00000 0.05 0.45 Q37 1 0.2165 0.4771 0.5945 11.00000 0.05 0.44 Q38 1 0.1003 0.3982 0.6221 11.00000 0.05 0.43 Q39 1 0.1992 0.5190 0.5901 11.00000 0.05 0.43 Q40 1 0.3183 0.5690 0.6865 11.00000 0.05 0.43 Q41 1 0.2564 0.5638 0.5610 11.00000 0.05 0.43 Q42 1 0.1369 0.9149 0.0761 11.00000 0.05 0.43 Q43 1 0.3188 0.3700 0.3921 11.00000 0.05 0.43 Q44 1 0.3324 0.3315 0.5717 11.00000 0.05 0.42 Q45 1 0.2081 0.4654 0.0960 11.00000 0.05 0.42 Q46 1 0.0447 0.3096 0.8003 11.00000 0.05 0.41 Q47 1 0.3620 0.4000 0.6615 11.00000 0.05 0.41 Q48 1 0.0803 0.4308 0.7311 11.00000 0.05 0.41 Q49 1 0.1970 0.4316 0.5931 11.00000 0.05 0.41 Q50 1 0.3804 0.5199 0.6172 11.00000 0.05 0.40 Q51 1 0.2739 -0.0385 0.4523 11.00000 0.05 0.40 Q52 1 0.1603 0.5207 0.5950 11.00000 0.05 0.40 Q53 1 0.2206 0.5236 0.0241 11.00000 0.05 0.40 Q54 1 0.2778 0.6478 0.1213 11.00000 0.05 0.40 Q55 1 0.2392 0.5426 0.6119 11.00000 0.05 0.40 Q56 1 0.1950 0.5219 0.8701 11.00000 0.05 0.40 Q57 1 0.3995 0.3472 0.0480 11.00000 0.05 0.39 Q58 1 0.2637 0.3925 0.4790 11.00000 0.05 0.39 Q59 1 0.2569 0.3724 0.7246 11.00000 0.05 0.39 Q60 1 0.3201 0.3183 0.0735 11.00000 0.05 0.39 Q61 1 0.3561 0.2849 0.7273 11.00000 0.05 0.39 Q62 1 0.3963 0.5767 0.1609 11.00000 0.05 0.39 Q63 1 0.1060 0.9085 0.3066 11.00000 0.05 0.39 Q64 1 0.1380 0.3780 0.8144 11.00000 0.05 0.39 Q65 1 0.4193 0.4364 0.5656 11.00000 0.05 0.39 Q66 1 0.3747 0.4595 0.4531 11.00000 0.05 0.39 Q67 1 0.3843 0.5914 -0.0600 11.00000 0.05 0.39 Q68 1 0.0621 0.3002 0.5780 11.00000 0.05 0.38 Q69 1 0.5942 0.5091 -0.0950 11.00000 0.05 0.38 Q70 1 0.3235 0.2769 0.4848 11.00000 0.05 0.38 Q71 1 0.3223 0.4392 0.2279 11.00000 0.05 0.38 Q72 1 0.4159 0.3889 -0.0373 11.00000 0.05 0.38 Q73 1 0.3007 0.3924 0.5074 11.00000 0.05 0.38 Q74 1 0.1359 0.5884 0.6034 11.00000 0.05 0.38 Q75 1 0.5005 0.4007 0.3478 11.00000 0.05 0.38 Q76 1 0.3572 0.2735 0.0800 11.00000 0.05 0.38 Q77 1 0.3402 0.4228 0.7293 11.00000 0.05 0.38 Q78 1 0.3152 0.4359 0.7368 11.00000 0.05 0.38 Q79 1 0.3400 0.3982 0.1653 11.00000 0.05 0.38 Q80 1 0.1499 0.5127 0.0946 11.00000 0.05 0.37 Q81 1 0.1670 0.5854 0.1893 11.00000 0.05 0.37 Q82 1 0.2812 0.4998 0.6740 11.00000 0.05 0.37 Q83 1 0.2055 0.3411 0.0795 11.00000 0.05 0.37 Q84 1 -0.0196 0.9950 0.0944 11.00000 0.05 0.37 Q85 1 0.1407 0.4962 -0.0065 11.00000 0.05 0.37 Q86 1 0.2993 0.3871 0.7193 11.00000 0.05 0.37 Q87 1 0.0615 0.5135 0.2931 11.00000 0.05 0.37 Q88 1 0.0997 0.3249 0.0979 11.00000 0.05 0.37 Q89 1 0.7790 0.1854 0.3670 11.00000 0.05 0.36 Q90 1 0.4422 0.6061 0.6719 11.00000 0.05 0.36 Q91 1 0.2778 0.8714 0.1788 11.00000 0.05 0.36 Q92 1 0.4794 0.4185 0.6277 11.00000 0.05 0.36 Q93 1 0.2262 0.6701 0.5308 11.00000 0.05 0.36 Q94 1 0.8638 0.4445 0.3158 11.00000 0.05 0.36 Q95 1 0.1784 0.4792 0.3150 11.00000 0.05 0.36 Q96 1 0.4426 0.6177 0.1696 11.00000 0.05 0.36 Q97 1 0.3618 0.1707 0.1598 11.00000 0.05 0.36 Q98 1 0.2768 0.2359 0.1392 11.00000 0.05 0.36 Q99 1 0.1586 0.3777 0.0711 11.00000 0.05 0.36 Q100 1 0.1176 0.3791 0.8529 11.00000 0.05 0.36 Q101 1 0.1828 0.4808 0.6010 11.00000 0.05 0.36 Q102 1 0.1641 0.5621 0.6775 11.00000 0.05 0.36 Q103 1 0.4005 0.5702 0.6756 11.00000 0.05 0.36 Q104 1 0.2219 0.5413 0.7845 11.00000 0.05 0.35 Q105 1 0.2614 0.3850 0.2351 11.00000 0.05 0.35 Q106 1 -0.0301 0.4367 0.6239 11.00000 0.05 0.35 Q107 1 0.2123 0.5099 0.0913 11.00000 0.05 0.35 Q108 1 0.4193 0.3929 0.5662 11.00000 0.05 0.35 Q109 1 0.2804 0.3985 0.6433 11.00000 0.05 0.35 Q110 1 0.3599 0.1484 0.1464 11.00000 0.05 0.35 Q111 1 0.4451 0.5624 0.7041 11.00000 0.05 0.35 Q112 1 0.1154 0.4245 0.7120 11.00000 0.05 0.35 Q113 1 0.3566 0.4425 0.7560 11.00000 0.05 0.35 Q114 1 0.3037 0.4009 0.2522 11.00000 0.05 0.35 Q115 1 0.1580 0.9291 0.3184 11.00000 0.05 0.35 Q116 1 0.1958 0.3011 0.1755 11.00000 0.05 0.35 Q117 1 0.0771 0.4750 0.6834 11.00000 0.05 0.34 Q118 1 0.1367 0.4654 0.7043 11.00000 0.05 0.34 Q119 1 0.3825 0.5142 0.1135 11.00000 0.05 0.34 Q120 1 0.1603 0.4015 0.6443 11.00000 0.05 0.34 Q121 1 0.3074 0.5434 0.6592 11.00000 0.05 0.34 Q122 1 0.1963 0.5345 0.3374 11.00000 0.05 0.34 Q123 1 0.2375 0.6891 0.1371 11.00000 0.05 0.34 Q124 1 0.4008 0.5108 0.6268 11.00000 0.05 0.34 Q125 1 0.0996 0.5064 0.7014 11.00000 0.05 0.34 Q126 1 -0.1190 0.7403 -0.0386 11.00000 0.05 0.34 Q127 1 0.1869 0.4953 0.0049 11.00000 0.05 0.34 Q128 1 -0.0566 0.1426 0.6917 11.00000 0.05 0.34 Q129 1 0.2021 0.3895 0.0817 11.00000 0.05 0.34 Q130 1 0.2404 0.1592 0.0922 11.00000 0.05 0.33 Q131 1 0.0788 0.5316 0.1896 11.00000 0.05 0.33 Q132 1 0.1780 0.4988 0.0723 11.00000 0.05 0.33 Q133 1 0.1571 0.5077 0.9550 11.00000 0.05 0.33 Q134 1 0.3833 0.3912 0.0553 11.00000 0.05 0.33 Q135 1 0.3620 -0.0102 0.6644 11.00000 0.05 0.33 Q136 1 0.3839 0.5502 0.5122 11.00000 0.05 0.33 Q137 1 0.3182 0.3859 0.6318 11.00000 0.05 0.33 Q138 1 0.0791 0.9552 0.1142 11.00000 0.05 0.33 Q139 1 0.2189 0.6549 0.5317 11.00000 0.05 0.33 Q140 1 0.2968 0.6558 0.6217 11.00000 0.05 0.33 Q141 1 0.3407 0.4751 0.4498 11.00000 0.05 0.33 Q142 1 0.3554 0.4084 0.2575 11.00000 0.05 0.33 Q143 1 0.3998 0.4879 0.6382 11.00000 0.05 0.33 Q144 1 0.4234 0.5617 0.4364 11.00000 0.05 0.33 Q145 1 0.3821 0.4270 0.0679 11.00000 0.05 0.33 Q146 1 0.2395 0.3382 0.5302 11.00000 0.05 0.33 Q147 1 0.1797 0.5323 0.0014 11.00000 0.05 0.33 Q148 1 0.3606 0.4994 0.4493 11.00000 0.05 0.33 Q149 1 0.4780 0.5002 0.1462 11.00000 0.05 0.33 Q150 1 0.4820 0.3517 0.1431 11.00000 0.05 0.33 Q151 1 0.1598 0.4708 0.9406 11.00000 0.05 0.33 Q152 1 0.2372 0.5118 0.7753 11.00000 0.05 0.33 Q153 1 0.0982 0.3280 0.8256 11.00000 0.05 0.33 Q154 1 0.2565 0.4416 0.5958 11.00000 0.05 0.33 Q155 1 0.0260 0.2092 0.5977 11.00000 0.05 0.33 Q156 1 0.1827 0.3127 0.6382 11.00000 0.05 0.32 Q157 1 0.2760 0.2906 0.1361 11.00000 0.05 0.32 Q158 1 0.1388 0.5697 0.6360 11.00000 0.05 0.32 Q159 1 -0.0591 0.2722 0.6471 11.00000 0.05 0.32 Q160 1 0.1774 0.6100 0.6210 11.00000 0.05 0.32 Q161 1 0.1602 0.4418 0.6995 11.00000 0.05 0.32 Q162 1 0.0794 0.4098 0.2147 11.00000 0.05 0.32 Q163 1 -0.0091 0.3135 0.6396 11.00000 0.05 0.32 Q164 1 0.0412 0.1990 0.6121 11.00000 0.05 0.32 Q165 1 0.2541 0.3589 0.6380 11.00000 0.05 0.32 Q166 1 0.2009 0.5029 0.7996 11.00000 0.05 0.32 Q167 1 0.2474 0.2505 0.1368 11.00000 0.05 0.32 Q168 1 0.3620 0.3013 0.5870 11.00000 0.05 0.32 Q169 1 0.1378 0.3792 0.1348 11.00000 0.05 0.32 Q170 1 -0.0146 0.6414 0.1420 11.00000 0.05 0.32 Q171 1 -0.2393 0.5311 0.0034 11.00000 0.05 0.32 Q172 1 0.3826 0.4724 0.1773 11.00000 0.05 0.32 Q173 1 0.4812 0.2900 0.4694 11.00000 0.05 0.32 Q174 1 0.3365 0.4889 -0.0301 11.00000 0.05 0.32 Q175 1 0.0572 0.4908 0.7880 11.00000 0.05 0.32 Q176 1 0.1473 0.4411 0.3082 11.00000 0.05 0.31 Q177 1 0.1756 0.5381 0.3747 11.00000 0.05 0.31 Q178 1 0.7642 0.3305 0.3374 11.00000 0.05 0.31 Q179 1 0.1034 0.5787 0.1857 11.00000 0.05 0.31 Q180 1 0.2604 0.7124 0.5482 11.00000 0.05 0.31 Q181 1 0.2848 0.4407 0.1589 11.00000 0.05 0.31 Q182 1 0.2160 -0.0561 0.4796 11.00000 0.05 0.31 Q183 1 0.2171 0.2738 0.1273 11.00000 0.05 0.31 Q184 1 0.1346 0.4786 0.2048 11.00000 0.05 0.31 Q185 1 0.1031 0.3473 0.5731 11.00000 0.05 0.31 Q186 1 0.3321 0.2921 0.5614 11.00000 0.05 0.31 Q187 1 0.3777 0.5273 0.4435 11.00000 0.05 0.31 Q188 1 0.2404 0.4809 0.6093 11.00000 0.05 0.31 Q189 1 0.3632 0.4885 0.3616 11.00000 0.05 0.31 Q190 1 0.4586 0.3703 0.5804 11.00000 0.05 0.31 Q191 1 0.2538 0.6540 0.6364 11.00000 0.05 0.31 Q192 1 0.4209 0.3884 0.0381 11.00000 0.05 0.31 Q193 1 0.1185 0.3494 -0.0194 11.00000 0.05 0.31 Q194 1 0.3011 0.6117 0.0608 11.00000 0.05 0.31 Q195 1 0.0777 0.2790 0.0317 11.00000 0.05 0.31 Q196 1 0.0439 0.9463 0.0836 11.00000 0.05 0.31 Q197 1 -0.0007 0.4422 0.0964 11.00000 0.05 0.30 Q198 1 0.5209 0.4342 0.3628 11.00000 0.05 0.30 Q199 1 0.1661 0.4593 0.8838 11.00000 0.05 0.30 Q200 1 0.1521 0.6389 0.2252 11.00000 0.05 0.30 ; _shelx_res_checksum 14530 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Eu1A Eu 0.30992(2) 0.43233(2) 0.57152(2) 0.01319(4) Uani 1 1 d . . . . . Eu2A Eu 0.19362(2) 0.46877(2) 0.68351(2) 0.01340(5) Uani 1 1 d . . . . . O1A O 0.19898(16) 0.36139(16) 0.56318(10) 0.0202(6) Uani 1 1 d . . . . . O2A O 0.14206(16) 0.37499(15) 0.63120(10) 0.0185(6) Uani 1 1 d . . . . . O3A O 0.19712(15) 0.50186(14) 0.59928(9) 0.0160(6) Uani 1 1 d . . . . . O4A O 0.21884(16) 0.51382(15) 0.52151(10) 0.0214(6) Uani 1 1 d . . . . . O5A O 0.36444(15) 0.52625(15) 0.62399(10) 0.0189(6) Uani 1 1 d . . . . . O6A O 0.30325(16) 0.53951(16) 0.69005(10) 0.0205(6) Uani 1 1 d . . . . . O7A O 0.31679(16) 0.39196(15) 0.65636(10) 0.0186(6) Uani 1 1 d . . . . . O8A O 0.29088(17) 0.39895(16) 0.73408(10) 0.0239(6) Uani 1 1 d . . . . . O9A O 0.35770(17) 0.31263(15) 0.56367(10) 0.0211(6) Uani 1 1 d D . . . . O10A O 0.44530(16) 0.39483(16) 0.57913(11) 0.0242(6) Uani 1 1 d . . . . . O11A O 0.13606(16) 0.58748(14) 0.68076(10) 0.0200(6) Uani 1 1 d . . . . . O12A O 0.05571(16) 0.50035(15) 0.67693(12) 0.0241(6) Uani 1 1 d . . . . . N1A N 0.29503(18) 0.39344(17) 0.47709(11) 0.0145(6) Uani 1 1 d . . . . . N2A N 0.37755(19) 0.50850(18) 0.51041(12) 0.0196(7) Uani 1 1 d . . . . . N3A N 0.13499(19) 0.38753(18) 0.74436(11) 0.0181(6) Uani 1 1 d . . . . . N4A N 0.19688(18) 0.51352(18) 0.77461(12) 0.0165(6) Uani 1 1 d . . . . . C1A C 0.1437(2) 0.3540(2) 0.58698(14) 0.0167(8) Uani 1 1 d . . . . . C2A C 0.0721(2) 0.3174(2) 0.55835(15) 0.0252(9) Uani 1 1 d . . . . . H2A H 0.087968 0.292884 0.528853 0.030 Uiso 1 1 calc R U . . . C3A C 0.0136(3) 0.3734(3) 0.5367(2) 0.0522(16) Uani 1 1 d . . . . . H3AA H 0.036931 0.404409 0.514567 0.078 Uiso 1 1 calc R U . . . H3AB H -0.001245 0.400214 0.564633 0.078 Uiso 1 1 calc R U . . . H3AC H -0.032355 0.351428 0.517072 0.078 Uiso 1 1 calc R U . . . C4A C 0.0400(3) 0.2633(3) 0.58999(16) 0.0296(10) Uani 1 1 d . . . . . C5A C -0.0122(3) 0.2783(4) 0.6214(2) 0.0495(15) Uani 1 1 d . . . . . H5A H -0.029681 0.324450 0.624613 0.059 Uiso 1 1 calc R U . . . C6A C -0.0398(4) 0.2226(5) 0.6492(2) 0.064(2) Uani 1 1 d . . . . . H6A H -0.076012 0.231587 0.670911 0.077 Uiso 1 1 calc R U . . . C7A C -0.0140(4) 0.1573(4) 0.6443(3) 0.063(2) Uani 1 1 d . . . . . H7A H -0.032473 0.120769 0.662824 0.075 Uiso 1 1 calc R U . . . C8A C 0.0374(4) 0.1429(4) 0.6137(3) 0.065(2) Uani 1 1 d . . . . . H8A H 0.054680 0.096628 0.610940 0.077 Uiso 1 1 calc R U . . . C9A C 0.0647(3) 0.1951(3) 0.5866(2) 0.0442(13) Uani 1 1 d . . . . . H9A H 0.101014 0.184414 0.565196 0.053 Uiso 1 1 calc R U . . . C10A C 0.1873(2) 0.5348(2) 0.55751(14) 0.0166(7) Uani 1 1 d . . . . . C11A C 0.1375(2) 0.5997(2) 0.55130(14) 0.0204(8) Uani 1 1 d . . . . . H11A H 0.128596 0.613972 0.585777 0.024 Uiso 1 1 calc R U . . . C12A C 0.0591(2) 0.5807(2) 0.51972(17) 0.0259(9) Uani 1 1 d . . . . . H12A H 0.066328 0.564786 0.486060 0.039 Uiso 1 1 calc R U . . . H12B H 0.025352 0.621481 0.516094 0.039 Uiso 1 1 calc R U . . . H12C H 0.035316 0.543599 0.536789 0.039 Uiso 1 1 calc R U . . . C13A C 0.1805(2) 0.6583(2) 0.53006(15) 0.0196(8) Uani 1 1 d . . . . . C14A C 0.1480(3) 0.6980(2) 0.48912(17) 0.0281(9) Uani 1 1 d . . . . . H14A H 0.096872 0.688408 0.472320 0.034 Uiso 1 1 calc R U . . . C15A C 0.1896(3) 0.7523(3) 0.4720(2) 0.0372(11) Uani 1 1 d . . . . . H15A H 0.166429 0.779324 0.443770 0.045 Uiso 1 1 calc R U . . . C16A C 0.2640(3) 0.7669(3) 0.4958(2) 0.0358(11) Uani 1 1 d . . . . . H16A H 0.291838 0.804305 0.484471 0.043 Uiso 1 1 calc R U . . . C17A C 0.2974(3) 0.7264(3) 0.5362(2) 0.0347(11) Uani 1 1 d . . . . . H17A H 0.349021 0.735245 0.552382 0.042 Uiso 1 1 calc R U . . . C18A C 0.2561(3) 0.6732(2) 0.55336(17) 0.0294(10) Uani 1 1 d . . . . . H18A H 0.279578 0.646131 0.581534 0.035 Uiso 1 1 calc R U . . . C19A C 0.3584(2) 0.5500(2) 0.66685(15) 0.0171(7) Uani 1 1 d . . . . . C20A C 0.4245(3) 0.5944(3) 0.69502(16) 0.0281(10) Uani 1 1 d . . . . . H20A H 0.399561 0.632105 0.712062 0.034 Uiso 1 1 calc R U . A 1 C21A C 0.4720(3) 0.6306(3) 0.66016(18) 0.0306(10) Uani 1 1 d . . . . . H21A H 0.494943 0.595835 0.640543 0.046 Uiso 1 1 calc R U . . . H21B H 0.513149 0.657796 0.680622 0.046 Uiso 1 1 calc R U . . . H21C H 0.438497 0.661408 0.636907 0.046 Uiso 1 1 calc R U . . . C22A C 0.4706(3) 0.5558(3) 0.7349(2) 0.0184(11) Uani 0.7 1 d . . P B 1 C23A C 0.4866(4) 0.4861(4) 0.7307(3) 0.0367(16) Uani 0.7 1 d . . P B 1 H23A H 0.467131 0.462544 0.699934 0.044 Uiso 0.7 1 calc R U P B 1 C24A C 0.5303(4) 0.4500(4) 0.7702(3) 0.0415(18) Uani 0.7 1 d . . P B 1 H24A H 0.540035 0.401999 0.766413 0.050 Uiso 0.7 1 calc R U P B 1 C25A C 0.5597(4) 0.4831(5) 0.8149(3) 0.0375(17) Uani 0.7 1 d . . P B 1 H25A H 0.588893 0.457754 0.842127 0.045 Uiso 0.7 1 calc R U P B 1 C26A C 0.5470(4) 0.5523(4) 0.8203(2) 0.0332(15) Uani 0.7 1 d . . P B 1 H26A H 0.568336 0.575611 0.850789 0.040 Uiso 0.7 1 calc R U P B 1 C27A C 0.5025(4) 0.5884(3) 0.7807(2) 0.0283(13) Uani 0.7 1 d . . P B 1 H27A H 0.493471 0.636410 0.784708 0.034 Uiso 0.7 1 calc R U P B 1 C22C C 0.4880(7) 0.5286(7) 0.7273(5) 0.053(2) Uani 0.3 1 d G . P B 2 C23C C 0.5201(7) 0.4780(8) 0.7003(4) 0.053(2) Uani 0.3 1 d G . P B 2 H23C H 0.507968 0.477104 0.664237 0.063 Uiso 0.3 1 calc R U P B 2 C24C C 0.5699(6) 0.4288(7) 0.7260(5) 0.053(2) Uani 0.3 1 d G . P B 2 H24C H 0.591824 0.394230 0.707490 0.063 Uiso 0.3 1 calc R U P B 2 C25C C 0.5877(7) 0.4301(7) 0.7787(5) 0.053(2) Uani 0.3 1 d G . P B 2 H25C H 0.621711 0.396456 0.796226 0.063 Uiso 0.3 1 calc R U P B 2 C26C C 0.5556(9) 0.4807(9) 0.8057(4) 0.053(2) Uani 0.3 1 d G . P B 2 H26C H 0.567742 0.481558 0.841709 0.063 Uiso 0.3 1 calc R U P B 2 C27C C 0.5058(8) 0.5299(8) 0.7800(5) 0.053(2) Uani 0.3 1 d G . P B 2 H27C H 0.483885 0.564434 0.798457 0.063 Uiso 0.3 1 calc R U P B 2 C28A C 0.3274(2) 0.3728(2) 0.70255(14) 0.0176(8) Uani 1 1 d . . . . . C29A C 0.3829(2) 0.3134(2) 0.72209(14) 0.0180(7) Uani 1 1 d . . . . . H29A H 0.413066 0.327993 0.755623 0.022 Uiso 1 1 calc R U . . . C30A C 0.4409(2) 0.2945(2) 0.68768(16) 0.0260(9) Uani 1 1 d . . . . . H30A H 0.413916 0.271084 0.657180 0.039 Uiso 1 1 calc R U . . . H30B H 0.480429 0.263599 0.705976 0.039 Uiso 1 1 calc R U . . . H30C H 0.465446 0.336818 0.677869 0.039 Uiso 1 1 calc R U . . . C31A C 0.3345(2) 0.2511(2) 0.73143(14) 0.0199(8) Uani 1 1 d . . . . . C32A C 0.2747(3) 0.2283(3) 0.69424(19) 0.0325(10) Uani 1 1 d . . . . . H32A H 0.263630 0.252129 0.662733 0.039 Uiso 1 1 calc R U . . . C33A C 0.2312(3) 0.1714(3) 0.7025(2) 0.0396(12) Uani 1 1 d . . . . . H33A H 0.189929 0.156863 0.676878 0.048 Uiso 1 1 calc R U . . . C34A C 0.2471(3) 0.1352(3) 0.7479(2) 0.0370(12) Uani 1 1 d . . . . . H34A H 0.216997 0.096021 0.753518 0.044 Uiso 1 1 calc R U . . . C35A C 0.3075(3) 0.1569(3) 0.78513(19) 0.0352(11) Uani 1 1 d . . . . . H35A H 0.319228 0.132071 0.816204 0.042 Uiso 1 1 calc R U . . . C36A C 0.3509(3) 0.2145(2) 0.77717(16) 0.0261(9) Uani 1 1 d . . . . . H36A H 0.391973 0.229270 0.802885 0.031 Uiso 1 1 calc R U . . . C37A C 0.4266(2) 0.3336(2) 0.56669(15) 0.0230(9) Uani 1 1 d . . . . . C38A C 0.4871(3) 0.2840(2) 0.55159(16) 0.0272(9) Uani 1 1 d . . . . . H38A H 0.466683 0.235721 0.552177 0.033 Uiso 1 1 calc R U . . . C39A C 0.5635(3) 0.2874(3) 0.58816(18) 0.0418(13) Uani 1 1 d . . . . . H39A H 0.601897 0.258946 0.575142 0.063 Uiso 1 1 calc R U . . . H39B H 0.556481 0.270002 0.621473 0.063 Uiso 1 1 calc R U . . . H39C H 0.581433 0.335600 0.591446 0.063 Uiso 1 1 calc R U . . . C40A C 0.4932(2) 0.3019(2) 0.49664(16) 0.0244(8) Uani 1 1 d . . . . . C41A C 0.5404(3) 0.3559(3) 0.48600(18) 0.0320(10) Uani 1 1 d . . . . . H41A H 0.568977 0.382403 0.512804 0.038 Uiso 1 1 calc R U . . . C42A C 0.5453(3) 0.3710(3) 0.43512(19) 0.0398(12) Uani 1 1 d . . . . . H42A H 0.577851 0.407424 0.427543 0.048 Uiso 1 1 calc R U . . . C43A C 0.5030(3) 0.3331(3) 0.39633(18) 0.0422(13) Uani 1 1 d . . . . . H43A H 0.506819 0.343313 0.362104 0.051 Uiso 1 1 calc R U . . . C44A C 0.4557(3) 0.2811(3) 0.40666(18) 0.0365(11) Uani 1 1 d . . . . . H44A H 0.426226 0.255450 0.379715 0.044 Uiso 1 1 calc R U . . . C45A C 0.4505(3) 0.2657(2) 0.45692(18) 0.0308(10) Uani 1 1 d . . . . . H45A H 0.417086 0.229602 0.463919 0.037 Uiso 1 1 calc R U . . . C46A C 0.0692(2) 0.5637(2) 0.68227(14) 0.0182(8) Uani 1 1 d . . . . . C47A C 0.0062(3) 0.6137(3) 0.69227(16) 0.0282(10) Uani 1 1 d . . . . . H47A H 0.032451 0.655196 0.709933 0.034 Uiso 1 1 calc R U . . . C48A C -0.0427(3) 0.5812(4) 0.7278(2) 0.0533(16) Uani 1 1 d . . . . . H48A H -0.080185 0.615241 0.735755 0.080 Uiso 1 1 calc R U . . . H48B H -0.009174 0.566585 0.759209 0.080 Uiso 1 1 calc R U . . . H48C H -0.070107 0.540837 0.711266 0.080 Uiso 1 1 calc R U . . . C49A C -0.0400(2) 0.6385(2) 0.64163(16) 0.0224(9) Uani 1 1 d . . . . . C50A C -0.1068(3) 0.6059(3) 0.61870(18) 0.0342(10) Uani 1 1 d . . . . . H50A H -0.125119 0.566627 0.634474 0.041 Uiso 1 1 calc R U . . . C51A C -0.1478(3) 0.6299(3) 0.57268(19) 0.0400(12) Uani 1 1 d . . . . . H51A H -0.194226 0.607431 0.557657 0.048 Uiso 1 1 calc R U . . . C52A C -0.1216(3) 0.6853(3) 0.54906(17) 0.0368(12) Uani 1 1 d . . . . . H52A H -0.149441 0.701248 0.517505 0.044 Uiso 1 1 calc R U . . . C53A C -0.0546(3) 0.7182(3) 0.57112(18) 0.0356(11) Uani 1 1 d . . . . . H53A H -0.035864 0.756713 0.554678 0.043 Uiso 1 1 calc R U . . . C54A C -0.0144(3) 0.6951(2) 0.61748(17) 0.0276(9) Uani 1 1 d . . . . . H54A H 0.031387 0.718411 0.632790 0.033 Uiso 1 1 calc R U . . . C55A C 0.2552(2) 0.3369(2) 0.46036(14) 0.0181(7) Uani 1 1 d . . . . . H55A H 0.232743 0.310497 0.484015 0.022 Uiso 1 1 calc R U . . . C56A C 0.2444(2) 0.3141(2) 0.40977(14) 0.0203(8) Uani 1 1 d . . . . . H56A H 0.215640 0.273260 0.399667 0.024 Uiso 1 1 calc R U . . . C57A C 0.2761(2) 0.3521(2) 0.37524(14) 0.0197(8) Uani 1 1 d . . . . . H57A H 0.269807 0.337796 0.340783 0.024 Uiso 1 1 calc R U . . . C58A C 0.3180(2) 0.4123(2) 0.39124(13) 0.0174(8) Uani 1 1 d . . . . . C59A C 0.32669(18) 0.4311(2) 0.44276(12) 0.0139(6) Uani 1 1 d . . . . . C60A C 0.3703(2) 0.4922(2) 0.46092(13) 0.0172(7) Uani 1 1 d . . . . . C61A C 0.3521(2) 0.4552(2) 0.35686(14) 0.0200(8) Uani 1 1 d . . . . . H61A H 0.345119 0.443344 0.321880 0.024 Uiso 1 1 calc R U . . . C62A C 0.3935(2) 0.5116(2) 0.37358(15) 0.0220(8) Uani 1 1 d . . . . . H62A H 0.416259 0.538472 0.350332 0.026 Uiso 1 1 calc R U . . . C63A C 0.4040(2) 0.5320(2) 0.42588(15) 0.0193(8) Uani 1 1 d . . . . . C64A C 0.4450(3) 0.5913(3) 0.44398(18) 0.0319(11) Uani 1 1 d . . . . . H64A H 0.468256 0.619598 0.421747 0.038 Uiso 1 1 calc R U . . . C65A C 0.4512(3) 0.6082(3) 0.49400(18) 0.0395(12) Uani 1 1 d . . . . . H65A H 0.478689 0.648620 0.506996 0.047 Uiso 1 1 calc R U . . . C66A C 0.4168(3) 0.5655(3) 0.52609(16) 0.0321(10) Uani 1 1 d . . . . . H66A H 0.421748 0.578016 0.560866 0.039 Uiso 1 1 calc R U . . . C67A C 0.1086(3) 0.3250(2) 0.73100(16) 0.0288(10) Uani 1 1 d . . . . . H67A H 0.108680 0.310541 0.697040 0.035 Uiso 1 1 calc R U . . . C68A C 0.0806(3) 0.2785(3) 0.76373(18) 0.0394(12) Uani 1 1 d . . . . . H68A H 0.062545 0.233855 0.752218 0.047 Uiso 1 1 calc R U . . . C69A C 0.0797(3) 0.2988(3) 0.81266(17) 0.0360(11) Uani 1 1 d . . . . . H69A H 0.060752 0.268401 0.835587 0.043 Uiso 1 1 calc R U . . . C70A C 0.1071(2) 0.3648(2) 0.82874(15) 0.0252(9) Uani 1 1 d . . . . . C71A C 0.1360(2) 0.4080(2) 0.79331(14) 0.0170(8) Uani 1 1 d . . . . . C72A C 0.1678(2) 0.4744(2) 0.80921(13) 0.0168(7) Uani 1 1 d . . . . . C73A C 0.1087(3) 0.3892(3) 0.87940(15) 0.0292(10) Uani 1 1 d . . . . . H73A H 0.088304 0.360813 0.902889 0.035 Uiso 1 1 calc R U . . . C74A C 0.1387(3) 0.4517(2) 0.89463(15) 0.0271(10) Uani 1 1 d . . . . . H74A H 0.139832 0.466349 0.928679 0.033 Uiso 1 1 calc R U . . . C75A C 0.1687(2) 0.4961(2) 0.85973(14) 0.0204(8) Uani 1 1 d . . . . . C76A C 0.2020(2) 0.5613(2) 0.87390(15) 0.0253(9) Uani 1 1 d . . . . . H76A H 0.203757 0.578214 0.907463 0.030 Uiso 1 1 calc R U . . . C77A C 0.2316(2) 0.6001(2) 0.83896(16) 0.0243(9) Uani 1 1 d . . . . . H77A H 0.254130 0.644060 0.848122 0.029 Uiso 1 1 calc R U . . . C78A C 0.2285(2) 0.5746(2) 0.78970(15) 0.0205(8) Uani 1 1 d . . . . . H78A H 0.249720 0.601964 0.765966 0.025 Uiso 1 1 calc R U . . . Eu1B Eu 0.19446(2) 0.48027(2) 0.18583(2) 0.01485(5) Uani 1 1 d . . . . . Eu2B Eu 0.29141(2) 0.42757(2) 0.07052(2) 0.01429(4) Uani 1 1 d . . . . . O1B O 0.13998(16) 0.37745(15) 0.14818(10) 0.0200(6) Uani 1 1 d . . . . . O2B O 0.18411(17) 0.35547(15) 0.07623(11) 0.0210(6) Uani 1 1 d . . . . . O3B O 0.30325(15) 0.40944(14) 0.15796(9) 0.0162(5) Uani 1 1 d . . . . . O4B O 0.29534(15) 0.40679(15) 0.23896(10) 0.0204(6) Uani 1 1 d . . . . . O5B O 0.30120(17) 0.55252(16) 0.18141(11) 0.0211(6) Uani 1 1 d . . . . . O6B O 0.35286(16) 0.52719(15) 0.11281(10) 0.0202(6) Uani 1 1 d . . . . . O7B O 0.18347(16) 0.50087(15) 0.09721(10) 0.0179(6) Uani 1 1 d . . . . . O8B O 0.18647(16) 0.48785(16) 0.01616(10) 0.0227(6) Uani 1 1 d . . . . . O10B O 0.13247(17) 0.59852(15) 0.17368(11) 0.0244(6) Uani 1 1 d D . . . . O9B O 0.05544(17) 0.50886(15) 0.17261(12) 0.0262(7) Uani 1 1 d . . . . . O11B O 0.42161(16) 0.38296(16) 0.06397(11) 0.0226(6) Uani 1 1 d D . . . . O12B O 0.34174(16) 0.30399(15) 0.08294(10) 0.0211(6) Uani 1 1 d D . . . . N1B N 0.13621(17) 0.42341(19) 0.25989(11) 0.0206(6) Uani 1 1 d . . . . . N2B N 0.2109(2) 0.5471(2) 0.27199(13) 0.0238(8) Uani 1 1 d . . . . . N3B N 0.28153(18) 0.36757(18) -0.01715(12) 0.0171(7) Uani 1 1 d . . . . . N4B N 0.34350(18) 0.49756(17) 0.00025(11) 0.0174(6) Uani 1 1 d . . . . . C1B C 0.1347(2) 0.3508(2) 0.10476(14) 0.0185(8) Uani 1 1 d . . . . . C2B C 0.0599(2) 0.3123(2) 0.08231(15) 0.0224(8) Uani 1 1 d . . . . . H2B H 0.074476 0.271938 0.062532 0.027 Uiso 1 1 calc R U . . . C3B C 0.0120(3) 0.3625(3) 0.04435(17) 0.0346(11) Uani 1 1 d . . . . . H3BA H 0.041578 0.374982 0.017788 0.052 Uiso 1 1 calc R U . . . H3BB H 0.000414 0.404511 0.062260 0.052 Uiso 1 1 calc R U . . . H3BC H -0.036351 0.340028 0.028902 0.052 Uiso 1 1 calc R U . . . C4B C 0.0139(2) 0.2847(2) 0.12094(16) 0.0259(9) Uani 1 1 d . . . . . C5B C -0.0257(3) 0.3272(3) 0.14923(17) 0.0311(10) Uani 1 1 d . . . . . H5B H -0.022194 0.376077 0.146027 0.037 Uiso 1 1 calc R U . . . C6B C -0.0709(3) 0.2993(3) 0.18250(18) 0.0422(13) Uani 1 1 d . . . . . H6B H -0.097499 0.329202 0.201795 0.051 Uiso 1 1 calc R U . . . C7B C -0.0768(3) 0.2284(3) 0.1873(2) 0.0473(15) Uani 1 1 d . . . . . H7B H -0.107940 0.209395 0.209633 0.057 Uiso 1 1 calc R U . . . C8B C -0.0371(3) 0.1851(3) 0.1595(2) 0.0508(15) Uani 1 1 d . . . . . H8B H -0.041132 0.136224 0.162532 0.061 Uiso 1 1 calc R U . . . C9B C 0.0086(3) 0.2132(3) 0.1272(2) 0.0390(11) Uani 1 1 d . . . . . H9B H 0.036791 0.183123 0.109052 0.047 Uiso 1 1 calc R U . . . C10B C 0.3293(2) 0.3896(2) 0.20350(13) 0.0146(7) Uani 1 1 d . . . . . C11B C 0.4041(2) 0.3477(2) 0.21262(14) 0.0178(7) Uani 1 1 d . . . . . H11B H 0.406946 0.320874 0.180980 0.021 Uiso 1 1 calc R U . . . C12B C 0.4060(2) 0.2958(2) 0.25607(16) 0.0266(9) Uani 1 1 d . . . . . H12D H 0.363629 0.262530 0.247397 0.040 Uiso 1 1 calc R U . . . H12E H 0.400170 0.320591 0.287162 0.040 Uiso 1 1 calc R U . . . H12F H 0.455414 0.271010 0.261483 0.040 Uiso 1 1 calc R U . . . C13B C 0.4719(2) 0.3981(2) 0.22132(14) 0.0187(8) Uani 1 1 d . . . . . C14B C 0.4862(2) 0.4393(2) 0.26470(15) 0.0238(8) Uani 1 1 d . . . . . H14B H 0.452648 0.436379 0.288886 0.029 Uiso 1 1 calc R U . . . C15B C 0.5482(2) 0.4841(3) 0.27328(18) 0.0311(9) Uani 1 1 d . . . . . H15B H 0.556326 0.512538 0.302723 0.037 Uiso 1 1 calc R U . . . C16B C 0.5988(2) 0.4876(3) 0.23859(19) 0.0351(11) Uani 1 1 d . . . . . H16B H 0.642595 0.517181 0.244783 0.042 Uiso 1 1 calc R U . . . C17B C 0.5847(2) 0.4476(2) 0.19518(17) 0.0322(10) Uani 1 1 d . . . . . H17B H 0.618497 0.450487 0.171100 0.039 Uiso 1 1 calc R U . . . C18B C 0.5219(2) 0.4032(2) 0.18640(15) 0.0240(8) Uani 1 1 d . . . . . H18B H 0.512801 0.376060 0.156319 0.029 Uiso 1 1 calc R U . . . C19B C 0.3546(2) 0.5549(2) 0.15575(15) 0.0174(8) Uani 1 1 d . . . . . C20B C 0.4303(2) 0.5910(2) 0.17956(14) 0.0185(8) Uani 1 1 d . . . . . H20B H 0.471313 0.554440 0.183472 0.022 Uiso 1 1 calc R U . . . C21B C 0.4280(3) 0.6185(2) 0.23328(15) 0.0264(9) Uani 1 1 d . . . . . H21D H 0.389716 0.655767 0.231338 0.040 Uiso 1 1 calc R U . . . H21E H 0.478990 0.636406 0.248298 0.040 Uiso 1 1 calc R U . . . H21F H 0.413694 0.580783 0.254413 0.040 Uiso 1 1 calc R U . . . C22B C 0.4554(2) 0.6465(2) 0.14561(15) 0.0202(8) Uani 1 1 d . . . . . C23B C 0.4302(3) 0.7145(2) 0.14684(19) 0.0348(11) Uani 1 1 d . . . . . H23B H 0.393632 0.726331 0.167763 0.042 Uiso 1 1 calc R U . . . C24B C 0.4577(3) 0.7660(3) 0.1178(2) 0.0432(13) Uani 1 1 d . . . . . H24B H 0.439708 0.812312 0.118934 0.052 Uiso 1 1 calc R U . . . C25B C 0.5107(3) 0.7497(3) 0.08755(18) 0.0418(13) Uani 1 1 d . . . . . H25B H 0.529767 0.784580 0.067929 0.050 Uiso 1 1 calc R U . . . C26B C 0.5359(3) 0.6828(3) 0.08583(18) 0.0428(14) Uani 1 1 d . . . . . H26B H 0.572732 0.671472 0.065024 0.051 Uiso 1 1 calc R U . . . C27B C 0.5080(3) 0.6311(2) 0.11435(16) 0.0280(9) Uani 1 1 d . . . . . H27B H 0.525376 0.584782 0.112241 0.034 Uiso 1 1 calc R U . . . C28B C 0.1594(2) 0.5173(2) 0.05101(14) 0.0184(8) Uani 1 1 d . . . . . C29B C 0.1025(2) 0.5764(2) 0.03805(15) 0.0254(9) Uani 1 1 d . . . . . H29B H 0.079757 0.587592 0.068869 0.030 Uiso 1 1 calc R U . . . C30B C 0.0368(3) 0.5542(3) -0.00466(18) 0.0357(11) Uani 1 1 d . . . . . H30D H 0.001151 0.593034 -0.013573 0.054 Uiso 1 1 calc R U . . . H30E H 0.008943 0.514971 0.006912 0.054 Uiso 1 1 calc R U . . . H30F H 0.058503 0.540314 -0.034528 0.054 Uiso 1 1 calc R U . . . C31B C 0.1489(3) 0.6387(2) 0.02563(16) 0.0255(9) Uani 1 1 d . . . . . C32B C 0.1382(3) 0.6678(3) -0.02302(18) 0.0358(11) Uani 1 1 d . . . . . H32B H 0.099407 0.649825 -0.048933 0.043 Uiso 1 1 calc R U . . . C33B C 0.1838(4) 0.7226(3) -0.0338(2) 0.0485(14) Uani 1 1 d . . . . . H33B H 0.175435 0.742489 -0.066811 0.058 Uiso 1 1 calc R U . . . C34B C 0.2414(4) 0.7484(3) 0.0035(2) 0.0524(15) Uani 1 1 d . . . . . H34B H 0.273891 0.784868 -0.004140 0.063 Uiso 1 1 calc R U . . . C35B C 0.2515(4) 0.7206(3) 0.0523(2) 0.0499(14) Uani 1 1 d . . . . . H35B H 0.290050 0.738853 0.078222 0.060 Uiso 1 1 calc R U . . . C36B C 0.2053(3) 0.6662(3) 0.06289(18) 0.0357(11) Uani 1 1 d . . . . . H36B H 0.212566 0.647494 0.096249 0.043 Uiso 1 1 calc R U . . . C37B C 0.0658(2) 0.5732(2) 0.17296(16) 0.0226(9) Uani 1 1 d . . . . . C38B C -0.0028(3) 0.6225(2) 0.17264(19) 0.0314(10) Uani 1 1 d . . . . . H38B H 0.016908 0.667409 0.188540 0.047 Uiso 1 1 calc R U . C 1 C39B C -0.0604(3) 0.5917(3) 0.2034(2) 0.0365(11) Uani 1 1 d . . . . . H39D H -0.105828 0.621861 0.200483 0.055 Uiso 1 1 calc R U . . . H39E H -0.035978 0.587999 0.239107 0.055 Uiso 1 1 calc R U . . . H39F H -0.076281 0.545580 0.190190 0.055 Uiso 1 1 calc R U . . . C40B C -0.0421(5) 0.6367(4) 0.1152(3) 0.0230(16) Uani 0.7 1 d . . P D 1 C41B C -0.0996(6) 0.5961(4) 0.0886(3) 0.0309(18) Uani 0.7 1 d . . P D 1 H41B H -0.116232 0.556199 0.104505 0.037 Uiso 0.7 1 calc R U P D 1 C42B C -0.1341(5) 0.6119(4) 0.0388(3) 0.0353(18) Uani 0.7 1 d . . P D 1 H42B H -0.173387 0.582699 0.021202 0.042 Uiso 0.7 1 calc R U P D 1 C43B C -0.1113(5) 0.6700(4) 0.0150(3) 0.0330(17) Uani 0.7 1 d . . P D 1 H43B H -0.135572 0.681883 -0.018445 0.040 Uiso 0.7 1 calc R U P D 1 C44B C -0.0526(5) 0.7106(4) 0.0408(3) 0.0290(18) Uani 0.7 1 d . . P D 1 H44B H -0.035831 0.750145 0.024602 0.035 Uiso 0.7 1 calc R U P D 1 C45B C -0.0180(4) 0.6945(4) 0.0897(3) 0.0252(15) Uani 0.7 1 d . . P D 1 H45B H 0.022760 0.722836 0.106467 0.030 Uiso 0.7 1 calc R U P D 1 C40D C -0.0267(12) 0.6475(10) 0.1260(6) 0.039(3) Uani 0.3 1 d G . P D 2 C41D C -0.0911(12) 0.6143(8) 0.0989(7) 0.039(3) Uani 0.3 1 d G . P D 2 H41D H -0.114457 0.577145 0.113969 0.046 Uiso 0.3 1 calc R U P D 2 C42D C -0.1214(9) 0.6356(8) 0.0498(6) 0.039(3) Uani 0.3 1 d G . P D 2 H42D H -0.165466 0.612891 0.031327 0.046 Uiso 0.3 1 calc R U P D 2 C43D C -0.0873(9) 0.6900(8) 0.0278(5) 0.039(3) Uani 0.3 1 d G . P D 2 H43D H -0.107974 0.704476 -0.005771 0.046 Uiso 0.3 1 calc R U P D 2 C44D C -0.0228(9) 0.7231(8) 0.0548(7) 0.039(3) Uani 0.3 1 d G . P D 2 H44D H 0.000527 0.760315 0.039774 0.046 Uiso 0.3 1 calc R U P D 2 C45D C 0.0075(10) 0.7019(10) 0.1039(7) 0.039(3) Uani 0.3 1 d G . P D 2 H45D H 0.051537 0.724569 0.122417 0.046 Uiso 0.3 1 calc R U P D 2 C46B C 0.4028(2) 0.3192(2) 0.06759(14) 0.0190(8) Uani 1 1 d . . . . . C47B C 0.4557(2) 0.2634(2) 0.05202(15) 0.0240(8) Uani 1 1 d . . . . . H47B H 0.469326 0.277632 0.018728 0.029 Uiso 1 1 calc R U . . . C48B C 0.4160(2) 0.1930(2) 0.04441(17) 0.0299(9) Uani 1 1 d . . . . . H48D H 0.370532 0.196479 0.017556 0.045 Uiso 1 1 calc R U . . . H48E H 0.400011 0.178460 0.076131 0.045 Uiso 1 1 calc R U . . . H48F H 0.452033 0.158864 0.034659 0.045 Uiso 1 1 calc R U . . . C49B C 0.5305(2) 0.2624(2) 0.09113(16) 0.0225(8) Uani 1 1 d . . . . . C50B C 0.5323(3) 0.2329(2) 0.13868(17) 0.0283(9) Uani 1 1 d . . . . . H50B H 0.487553 0.210991 0.146778 0.034 Uiso 1 1 calc R U . . . C51B C 0.6001(3) 0.2354(3) 0.17449(19) 0.0393(12) Uani 1 1 d . . . . . H51B H 0.601658 0.215255 0.207059 0.047 Uiso 1 1 calc R U . . . C52B C 0.6655(3) 0.2676(3) 0.1625(2) 0.0457(14) Uani 1 1 d . . . . . H52B H 0.711644 0.269653 0.186964 0.055 Uiso 1 1 calc R U . . . C53B C 0.6635(3) 0.2964(3) 0.1153(2) 0.0431(13) Uani 1 1 d . . . . . H53B H 0.708150 0.318256 0.107042 0.052 Uiso 1 1 calc R U . . . C54B C 0.5966(3) 0.2935(2) 0.0799(2) 0.0341(10) Uani 1 1 d . . . . . H54B H 0.595735 0.313034 0.047164 0.041 Uiso 1 1 calc R U . . . C55B C 0.1004(2) 0.3631(2) 0.25496(16) 0.0275(9) Uani 1 1 d . . . . . H55B H 0.097612 0.339122 0.223655 0.033 Uiso 1 1 calc R U . . . C56B C 0.0661(3) 0.3320(3) 0.29304(18) 0.0343(11) Uani 1 1 d . . . . . H56B H 0.040211 0.288766 0.287294 0.041 Uiso 1 1 calc R U . . . C57B C 0.0709(3) 0.3657(3) 0.33895(17) 0.0335(11) Uani 1 1 d . . . . . H57B H 0.048280 0.345798 0.365388 0.040 Uiso 1 1 calc R U . . . C58B C 0.1092(2) 0.4292(3) 0.34629(14) 0.0269(8) Uani 1 1 d . . . . . C59B C 0.1415(2) 0.4572(2) 0.30576(14) 0.0226(9) Uani 1 1 d . . . . . C60B C 0.1816(2) 0.5218(2) 0.31229(14) 0.0219(8) Uani 1 1 d . . . . . C61B C 0.1207(3) 0.4656(3) 0.39420(15) 0.0319(11) Uani 1 1 d . . . . . H61B H 0.100410 0.446535 0.421910 0.038 Uiso 1 1 calc R U . . . C62B C 0.1594(3) 0.5260(3) 0.40032(15) 0.0324(11) Uani 1 1 d . . . . . H62B H 0.166448 0.548570 0.432351 0.039 Uiso 1 1 calc R U . . . C63B C 0.1905(2) 0.5569(3) 0.35925(15) 0.0266(9) Uani 1 1 d . . . . . C64B C 0.2299(3) 0.6199(3) 0.36394(17) 0.0345(11) Uani 1 1 d . . . . . H64B H 0.237266 0.644555 0.395171 0.041 Uiso 1 1 calc R U . . . C65B C 0.2578(3) 0.6459(3) 0.32311(19) 0.0378(12) Uani 1 1 d . . . . . H65B H 0.283960 0.689196 0.325476 0.045 Uiso 1 1 calc R U . . . C66B C 0.2474(3) 0.6078(3) 0.27756(18) 0.0319(10) Uani 1 1 d . . . . . H66B H 0.267386 0.626213 0.249530 0.038 Uiso 1 1 calc DR U . . . C67B C 0.2489(2) 0.3059(2) -0.02614(15) 0.0231(8) Uani 1 1 d . . . . . H67B H 0.225400 0.285159 -0.000420 0.028 Uiso 1 1 calc R U . . . C68B C 0.2474(3) 0.2695(2) -0.07199(16) 0.0287(9) Uani 1 1 d . . . . . H68B H 0.224203 0.225013 -0.076868 0.034 Uiso 1 1 calc R U . . . C69B C 0.2802(3) 0.3000(3) -0.10937(16) 0.0294(10) Uani 1 1 d . . . . . H69B H 0.280350 0.276372 -0.140536 0.035 Uiso 1 1 calc R U . . . C70B C 0.3135(2) 0.3657(2) -0.10171(15) 0.0230(8) Uani 1 1 d . . . . . C71B C 0.3137(2) 0.3985(2) -0.05437(14) 0.0186(8) Uani 1 1 d . . . . . C72B C 0.3457(2) 0.4669(2) -0.04523(14) 0.0183(7) Uani 1 1 d . . . . . C73B C 0.3459(3) 0.4019(3) -0.14035(15) 0.0294(10) Uani 1 1 d . . . . . H73B H 0.346300 0.380211 -0.172179 0.035 Uiso 1 1 calc R U . . . C74B C 0.3752(2) 0.4654(3) -0.13206(16) 0.0303(10) Uani 1 1 d . . . . . H74B H 0.396218 0.487933 -0.158161 0.036 Uiso 1 1 calc R U . . . C75B C 0.3759(2) 0.5006(2) -0.08452(14) 0.0241(9) Uani 1 1 d . . . . . C76B C 0.4019(2) 0.5691(3) -0.07597(16) 0.0298(10) Uani 1 1 d . . . . . H76B H 0.422856 0.593426 -0.101345 0.036 Uiso 1 1 calc R U . . . C77B C 0.3968(2) 0.6006(2) -0.03088(16) 0.0278(9) Uani 1 1 d . . . . . H77B H 0.412557 0.647467 -0.024995 0.033 Uiso 1 1 calc R U . . . C78B C 0.3681(2) 0.5628(2) 0.00659(15) 0.0228(8) Uani 1 1 d . . . . . H78B H 0.365981 0.584871 0.038088 0.027 Uiso 1 1 calc R U . . . O1L O 0.2831(2) 0.19485(19) 0.55828(15) 0.0410(9) Uani 1 1 d D . . . . H1OL H 0.314(2) 0.2272(15) 0.561(2) 0.061 Uiso 1 1 d D U . . . O2L O 0.39111(19) 0.14535(19) 0.59965(15) 0.0433(9) Uani 1 1 d . . . . . C1L C 0.3238(3) 0.1419(3) 0.5802(2) 0.0367(11) Uani 1 1 d . . . . . C2L C 0.2769(3) 0.0756(3) 0.5775(2) 0.0485(15) Uani 1 1 d . . . . . H2L H 0.222076 0.087936 0.579044 0.058 Uiso 1 1 calc R U . . . C3L C 0.3069(4) 0.0278(3) 0.6223(3) 0.0586(17) Uani 1 1 d . . . . . H3LA H 0.270713 -0.010747 0.622888 0.088 Uiso 1 1 calc R U . . . H3LB H 0.311582 0.053946 0.654062 0.088 Uiso 1 1 calc R U . . . H3LC H 0.357606 0.009475 0.618516 0.088 Uiso 1 1 calc R U . . . C4L C 0.2787(4) 0.0387(3) 0.5285(3) 0.0608(18) Uani 1 1 d . U . . . C5L C 0.2195(6) -0.0069(4) 0.5085(4) 0.096(3) Uani 1 1 d . . . . . H5L H 0.176799 -0.013857 0.525338 0.115 Uiso 1 1 calc R U . . . C6L C 0.2239(9) -0.0423(5) 0.4633(5) 0.136(6) Uani 1 1 d . . . . . H6L H 0.183703 -0.073782 0.450497 0.163 Uiso 1 1 calc R U . . . C7L C 0.2829(9) -0.0337(6) 0.4368(5) 0.132(6) Uani 1 1 d . . . . . H7L H 0.282906 -0.057268 0.405634 0.159 Uiso 1 1 calc R U . . . C8L C 0.3427(6) 0.0101(5) 0.4567(4) 0.108(4) Uani 1 1 d . . . . . H8L H 0.385751 0.016415 0.440078 0.130 Uiso 1 1 calc R U . . . C9L C 0.3384(5) 0.0451(4) 0.5020(3) 0.075(2) Uani 1 1 d . U . . . H9L H 0.379628 0.075387 0.515316 0.090 Uiso 1 1 calc R U . . . O3L O 0.8247(2) 0.21273(19) 0.33903(15) 0.0440(9) Uani 1 1 d D . . . . H3OL H 0.833(4) 0.1752(14) 0.328(2) 0.066 Uiso 1 1 d D U . . . O4L O 0.7240(3) 0.2106(2) 0.27827(17) 0.0668(14) Uani 1 1 d . . . . . C10L C 0.7601(3) 0.2376(2) 0.31447(17) 0.0265(9) Uani 1 1 d . . . . . C11L C 0.7366(3) 0.3045(2) 0.33822(17) 0.0284(9) Uani 1 1 d . . . . . H11L H 0.737544 0.295467 0.375148 0.034 Uiso 1 1 calc R U . . . C12L C 0.6542(3) 0.3251(3) 0.3147(2) 0.0426(13) Uani 1 1 d . . . . . H12G H 0.651538 0.334367 0.278452 0.064 Uiso 1 1 calc R U . . . H12H H 0.639426 0.366907 0.331559 0.064 Uiso 1 1 calc R U . . . H12I H 0.618799 0.287253 0.319180 0.064 Uiso 1 1 calc R U . . . C13L C 0.7955(3) 0.3607(2) 0.33403(18) 0.0290(9) Uani 1 1 d . . . . . C14L C 0.7986(3) 0.3929(3) 0.2878(2) 0.0373(11) Uani 1 1 d . . . . . H14L H 0.763301 0.379544 0.258290 0.045 Uiso 1 1 calc R U . . . C15L C 0.8525(3) 0.4441(3) 0.2844(2) 0.0486(13) Uani 1 1 d . . . . . H15L H 0.854346 0.465122 0.252454 0.058 Uiso 1 1 calc R U . . . C16L C 0.9030(3) 0.4648(3) 0.3261(3) 0.0541(15) Uani 1 1 d . . . . . H16L H 0.939687 0.500152 0.323314 0.065 Uiso 1 1 calc R U . . . C17L C 0.9009(3) 0.4347(3) 0.3719(2) 0.0549(15) Uani 1 1 d . . . . . H17L H 0.935772 0.449520 0.401135 0.066 Uiso 1 1 calc R U . . . C18L C 0.8470(3) 0.3815(3) 0.3763(2) 0.0416(12) Uani 1 1 d . . . . . H18L H 0.846342 0.360141 0.408230 0.050 Uiso 1 1 calc R U . . . O5L O 0.1367(3) 0.7340(2) 0.1737(2) 0.0401(12) Uani 0.7 1 d D . P E 1 H5OL H 0.136(5) 0.6921(6) 0.177(3) 0.060 Uiso 0.7 1 d D U P F 1 O6L O 0.2647(3) 0.7335(3) 0.1903(2) 0.0375(11) Uani 0.7 1 d . . P E 1 C19L C 0.2052(4) 0.7651(3) 0.1823(3) 0.0337(15) Uani 0.7 1 d D . P E 1 C20L C 0.1963(5) 0.8425(3) 0.1823(3) 0.044(2) Uani 0.7 1 d D U P E 1 H20L H 0.149384 0.855197 0.157084 0.053 Uiso 0.7 1 calc R U P E 1 C21L C 0.2675(6) 0.8764(5) 0.1657(6) 0.092(4) Uani 0.7 1 d . . P E 1 H21G H 0.270023 0.862616 0.130700 0.139 Uiso 0.7 1 calc R U P E 1 H21H H 0.314445 0.861032 0.188238 0.139 Uiso 0.7 1 calc R U P E 1 H21I H 0.263214 0.926909 0.167479 0.139 Uiso 0.7 1 calc R U P E 1 C22L C 0.1820(4) 0.8615(4) 0.2352(2) 0.0809(15) Uani 0.7 1 d G U P E 1 C23L C 0.2381(3) 0.8501(4) 0.2779(3) 0.0809(15) Uani 0.7 1 d G . P E 1 H23L H 0.286997 0.831808 0.274180 0.097 Uiso 0.7 1 calc R U P E 1 C24L C 0.2227(3) 0.8654(4) 0.3259(2) 0.0809(15) Uani 0.7 1 d G . P E 1 H24L H 0.261010 0.857587 0.355052 0.097 Uiso 0.7 1 calc R U P E 1 C25L C 0.1511(4) 0.8921(4) 0.3313(2) 0.0809(15) Uani 0.7 1 d G . P E 1 H25L H 0.140543 0.902590 0.364124 0.097 Uiso 0.7 1 calc R U P E 1 C26L C 0.0950(3) 0.9035(4) 0.2886(3) 0.0809(15) Uani 0.7 1 d G . P E 1 H26L H 0.046063 0.921815 0.292325 0.097 Uiso 0.7 1 calc R U P E 1 C27L C 0.1104(4) 0.8882(4) 0.2406(2) 0.0809(15) Uani 0.7 1 d G . P E 1 H27L H 0.072049 0.896037 0.211452 0.097 Uiso 0.7 1 calc R U P E 1 O5K O 0.2048(7) 0.7171(6) 0.1954(4) 0.028(2) Uani 0.3 1 d D . P G 2 H5OK H 0.183(6) 0.680(3) 0.192(5) 0.043 Uiso 0.3 1 d D U P H 2 O6K O 0.1301(9) 0.7393(6) 0.2533(5) 0.049(3) Uani 0.3 1 d . . P G 2 C19K C 0.1767(12) 0.7583(8) 0.2284(6) 0.042(4) Uani 0.3 1 d . . P G 2 C20K C 0.2100(14) 0.8331(11) 0.2266(6) 0.060(7) Uani 0.3 1 d D . P G 2 H20K H 0.267280 0.830746 0.228444 0.072 Uiso 0.3 1 calc R U P G 2 C21K C 0.1917(16) 0.8752(11) 0.2694(11) 0.092(4) Uani 0.3 1 d D . P G 2 H21J H 0.215261 0.853851 0.301629 0.139 Uiso 0.3 1 calc R U P G 2 H21K H 0.212063 0.922172 0.267388 0.139 Uiso 0.3 1 calc R U P G 2 H21L H 0.135513 0.877292 0.267432 0.139 Uiso 0.3 1 calc R U P G 2 C22K C 0.1744(11) 0.8655(9) 0.1787(7) 0.097(5) Uani 0.3 1 d G . P G 2 C23K C 0.1974(9) 0.8565(8) 0.1320(9) 0.097(5) Uani 0.3 1 d G . P G 2 H23K H 0.243082 0.831135 0.129798 0.116 Uiso 0.3 1 calc R U P G 2 C24K C 0.1537(11) 0.8846(9) 0.0884(7) 0.097(5) Uani 0.3 1 d G . P G 2 H24K H 0.169404 0.878393 0.056434 0.116 Uiso 0.3 1 calc R U P G 2 C25K C 0.0869(10) 0.9217(9) 0.0916(7) 0.097(5) Uani 0.3 1 d G . P G 2 H25K H 0.056979 0.940843 0.061766 0.116 Uiso 0.3 1 calc R U P G 2 C26K C 0.0639(8) 0.9307(8) 0.1383(8) 0.097(5) Uani 0.3 1 d G . P G 2 H26K H 0.018231 0.956034 0.140461 0.116 Uiso 0.3 1 calc R U P G 2 C27K C 0.1076(12) 0.9026(10) 0.1819(7) 0.097(5) Uani 0.3 1 d G . P G 2 H27K H 0.091908 0.908776 0.213825 0.116 Uiso 0.3 1 calc R U P G 2 O7L O 0.53085(17) 0.46644(17) 0.04441(13) 0.0350(7) Uani 1 1 d D . . . . H7OL H 0.497(2) 0.438(2) 0.0468(19) 0.053 Uiso 1 1 d D U . . . O8L O 0.5503(2) 0.4087(2) -0.02441(13) 0.0470(9) Uani 1 1 d . . . . . C28L C 0.5660(3) 0.4552(2) 0.00542(17) 0.0311(9) Uani 1 1 d . . . . . C29L C 0.6312(3) 0.5078(3) 0.00491(18) 0.0355(10) Uani 1 1 d . . . . . H29L H 0.612000 0.554387 0.013444 0.043 Uiso 1 1 calc R U . . . C30L C 0.6542(4) 0.5124(4) -0.0475(2) 0.0592(17) Uani 1 1 d . . . . . H30G H 0.669300 0.466359 -0.057787 0.089 Uiso 1 1 calc R U . . . H30H H 0.697685 0.544448 -0.046209 0.089 Uiso 1 1 calc R U . . . H30I H 0.610212 0.529269 -0.072144 0.089 Uiso 1 1 calc R U . . . C31L C 0.6970(2) 0.4870(2) 0.04711(17) 0.0295(9) Uani 1 1 d . . . . . C32L C 0.6991(2) 0.5139(3) 0.09578(18) 0.0337(10) Uani 1 1 d . . . . . H32L H 0.661550 0.547009 0.101482 0.040 Uiso 1 1 calc R U . . . C33L C 0.7553(3) 0.4928(3) 0.13597(19) 0.0375(11) Uani 1 1 d . . . . . H33L H 0.755909 0.511554 0.168892 0.045 Uiso 1 1 calc R U . . . C34L C 0.8101(3) 0.4448(3) 0.1282(2) 0.0385(11) Uani 1 1 d . . . . . H34L H 0.848249 0.429889 0.155742 0.046 Uiso 1 1 calc R U . . . C35L C 0.8091(3) 0.4186(3) 0.0802(2) 0.0410(11) Uani 1 1 d . . . . . H35L H 0.847476 0.386188 0.074587 0.049 Uiso 1 1 calc R U . . . C36L C 0.7532(3) 0.4388(3) 0.04003(19) 0.0377(11) Uani 1 1 d . . . . . H36L H 0.753080 0.419751 0.007263 0.045 Uiso 1 1 calc R U . . . O9L O 0.3124(2) 0.1995(2) 0.14334(14) 0.0481(9) Uani 1 1 d D . . . . H9OL H 0.319(4) 0.233(2) 0.124(2) 0.072 Uiso 1 1 d D U . . . O10L O 0.1963(3) 0.1809(3) 0.0995(2) 0.0790(16) Uani 1 1 d . . . . . C37L C 0.2471(3) 0.1650(3) 0.1330(2) 0.0419(12) Uani 1 1 d . . . . . C38L C 0.2440(3) 0.1038(3) 0.1685(2) 0.0410(12) Uani 1 1 d . . . . . H38L H 0.287034 0.071646 0.164200 0.049 Uiso 1 1 calc R U . . . C39L C 0.1668(4) 0.0632(3) 0.1535(3) 0.0628(18) Uani 1 1 d . . . . . H39G H 0.163657 0.044313 0.119198 0.094 Uiso 1 1 calc R U . . . H39H H 0.123214 0.094651 0.154297 0.094 Uiso 1 1 calc R U . . . H39I H 0.164956 0.025237 0.177583 0.094 Uiso 1 1 calc R U . . . C40L C 0.2561(3) 0.1252(2) 0.22388(19) 0.0319(10) Uani 1 1 d . . . . . C41L C 0.3034(3) 0.0862(3) 0.2604(2) 0.0490(14) Uani 1 1 d . . . . . H41L H 0.330825 0.047695 0.250358 0.059 Uiso 1 1 calc R U . . . C42L C 0.3110(3) 0.1032(4) 0.3117(2) 0.0551(16) Uani 1 1 d . . . . . H42L H 0.343432 0.076298 0.336455 0.066 Uiso 1 1 calc R U . . . C43L C 0.2712(3) 0.1592(3) 0.3262(2) 0.0484(14) Uani 1 1 d . . . . . H43L H 0.276192 0.170729 0.361181 0.058 Uiso 1 1 calc R U . . . C44L C 0.2248(3) 0.1981(3) 0.2908(2) 0.0441(13) Uani 1 1 d . . . . . H44L H 0.197526 0.236458 0.301195 0.053 Uiso 1 1 calc R U . . . C45L C 0.2170(3) 0.1819(3) 0.2393(2) 0.0361(11) Uani 1 1 d . . . . . H45L H 0.185055 0.209528 0.214826 0.043 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Eu1A 0.01519(7) 0.01491(9) 0.00954(7) -0.00161(7) 0.00235(5) 0.00006(9) Eu2A 0.01731(8) 0.01359(11) 0.00938(8) -0.00036(7) 0.00254(6) 0.00006(7) O1A 0.0197(14) 0.0241(16) 0.0174(14) -0.0049(11) 0.0046(11) -0.0054(12) O2A 0.0259(14) 0.0165(14) 0.0136(12) -0.0028(11) 0.0045(11) -0.0034(12) O3A 0.0200(13) 0.0166(14) 0.0110(12) 0.0018(10) 0.0018(10) -0.0007(10) O4A 0.0290(15) 0.0229(15) 0.0132(12) 0.0016(11) 0.0058(11) 0.0079(12) O5A 0.0198(13) 0.0229(15) 0.0145(13) -0.0065(11) 0.0041(10) -0.0057(11) O6A 0.0214(14) 0.0240(16) 0.0171(13) -0.0048(11) 0.0063(11) -0.0030(12) O7A 0.0247(14) 0.0184(14) 0.0117(12) 0.0013(11) 0.0009(10) 0.0022(11) O8A 0.0289(15) 0.0286(16) 0.0155(13) 0.0044(11) 0.0074(11) 0.0121(12) O9A 0.0259(14) 0.0205(15) 0.0169(13) -0.0002(11) 0.0042(11) 0.0052(12) O10A 0.0216(14) 0.0244(17) 0.0280(15) -0.0001(13) 0.0082(12) 0.0039(12) O11A 0.0255(14) 0.0149(14) 0.0198(14) 0.0000(11) 0.0042(11) -0.0006(11) O12A 0.0201(14) 0.0198(16) 0.0317(16) 0.0002(12) 0.0022(12) 0.0016(11) N1A 0.0166(14) 0.0154(16) 0.0123(14) -0.0026(12) 0.0041(11) 0.0007(12) N2A 0.0247(16) 0.0216(18) 0.0131(14) -0.0044(12) 0.0048(12) -0.0082(14) N3A 0.0229(16) 0.0185(17) 0.0128(14) 0.0025(13) 0.0026(12) -0.0015(13) N4A 0.0200(15) 0.0152(16) 0.0140(15) -0.0009(12) 0.0018(12) 0.0012(13) C1A 0.0184(18) 0.0150(19) 0.0161(18) -0.0010(14) 0.0009(14) -0.0006(15) C2A 0.026(2) 0.032(2) 0.0172(19) -0.0040(17) 0.0015(16) -0.0086(18) C3A 0.035(3) 0.052(4) 0.061(4) 0.017(3) -0.016(3) -0.008(3) C4A 0.026(2) 0.038(3) 0.022(2) 0.0003(19) -0.0046(17) -0.017(2) C5A 0.035(3) 0.080(5) 0.034(3) -0.005(3) 0.006(2) -0.022(3) C6A 0.044(3) 0.114(7) 0.034(3) -0.003(4) 0.003(3) -0.042(4) C7A 0.062(4) 0.068(5) 0.047(4) 0.015(3) -0.020(3) -0.040(4) C8A 0.074(5) 0.052(4) 0.055(4) 0.014(3) -0.024(3) -0.028(3) C9A 0.045(3) 0.040(3) 0.041(3) 0.004(2) -0.009(2) -0.012(2) C10A 0.0173(17) 0.020(2) 0.0125(16) -0.0021(14) 0.0017(13) -0.0001(15) C11A 0.025(2) 0.021(2) 0.0155(18) 0.0042(15) 0.0065(15) 0.0076(16) C12A 0.024(2) 0.026(2) 0.029(2) 0.0058(17) 0.0084(17) 0.0045(16) C13A 0.0257(19) 0.0140(18) 0.0205(19) -0.0003(14) 0.0079(15) 0.0039(15) C14A 0.026(2) 0.026(2) 0.030(2) 0.0104(18) 0.0010(17) 0.0020(17) C15A 0.039(3) 0.030(3) 0.042(3) 0.017(2) 0.005(2) 0.000(2) C16A 0.038(3) 0.023(2) 0.049(3) 0.004(2) 0.013(2) -0.003(2) C17A 0.024(2) 0.029(3) 0.050(3) -0.002(2) 0.003(2) -0.0039(18) C18A 0.031(2) 0.026(2) 0.028(2) 0.0038(18) -0.0063(18) -0.0005(18) C19A 0.0197(18) 0.0138(18) 0.0178(18) -0.0028(14) 0.0035(14) -0.0026(15) C20A 0.028(2) 0.038(3) 0.019(2) -0.0156(18) 0.0051(16) -0.0165(19) C21A 0.028(2) 0.031(3) 0.031(2) -0.0012(19) -0.0008(18) -0.0149(19) C22A 0.012(2) 0.024(3) 0.018(3) 0.001(2) -0.0003(19) -0.007(2) C23A 0.033(3) 0.028(3) 0.040(4) -0.007(3) -0.018(3) 0.002(3) C24A 0.035(4) 0.021(3) 0.059(5) -0.001(3) -0.017(3) 0.004(3) C25A 0.026(3) 0.056(5) 0.027(3) 0.012(3) -0.003(3) -0.005(3) C26A 0.036(3) 0.045(4) 0.017(3) -0.002(3) -0.002(2) 0.008(3) C27A 0.035(3) 0.029(3) 0.019(3) -0.006(2) 0.001(2) 0.004(3) C22C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C23C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C24C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C25C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C26C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C27C 0.038(4) 0.062(6) 0.054(5) 0.011(5) -0.006(3) -0.007(4) C28A 0.0171(18) 0.021(2) 0.0146(17) 0.0008(15) 0.0008(14) 0.0001(15) C29A 0.0180(18) 0.022(2) 0.0134(17) 0.0023(14) 0.0007(14) 0.0061(15) C30A 0.027(2) 0.030(2) 0.022(2) 0.0053(17) 0.0084(16) 0.0088(17) C31A 0.0197(18) 0.023(2) 0.0170(18) -0.0002(15) 0.0035(14) 0.0067(16) C32A 0.029(2) 0.030(3) 0.034(2) 0.007(2) -0.0061(19) 0.000(2) C33A 0.027(2) 0.031(3) 0.056(3) -0.002(2) -0.007(2) 0.000(2) C34A 0.032(2) 0.024(2) 0.059(3) 0.005(2) 0.018(2) 0.002(2) C35A 0.051(3) 0.025(2) 0.033(2) 0.0087(19) 0.017(2) 0.006(2) C36A 0.032(2) 0.023(2) 0.023(2) 0.0028(17) 0.0061(17) 0.0061(18) C37A 0.026(2) 0.032(2) 0.0133(18) 0.0031(16) 0.0084(15) 0.0080(18) C38A 0.033(2) 0.027(2) 0.025(2) 0.0072(17) 0.0142(18) 0.0142(18) C39A 0.035(3) 0.064(4) 0.028(2) 0.011(2) 0.010(2) 0.023(2) C40A 0.025(2) 0.026(2) 0.025(2) 0.0036(16) 0.0102(16) 0.0137(16) C41A 0.032(2) 0.037(3) 0.029(2) 0.0049(19) 0.0100(18) 0.0036(19) C42A 0.036(3) 0.048(3) 0.040(3) 0.015(2) 0.018(2) 0.006(2) C43A 0.036(3) 0.068(4) 0.025(2) 0.012(2) 0.014(2) 0.025(3) C44A 0.036(3) 0.044(3) 0.028(2) -0.002(2) 0.0043(19) 0.021(2) C45A 0.028(2) 0.027(2) 0.038(3) -0.0005(19) 0.0071(19) 0.0134(18) C46A 0.0196(18) 0.024(2) 0.0113(17) 0.0014(15) 0.0025(14) 0.0055(16) C47A 0.034(2) 0.032(2) 0.0191(19) -0.0008(17) 0.0063(17) 0.0156(19) C48A 0.050(3) 0.079(4) 0.037(3) 0.019(3) 0.024(2) 0.032(3) C49A 0.022(2) 0.026(2) 0.0195(19) -0.0025(16) 0.0044(16) 0.0095(17) C50A 0.034(2) 0.032(3) 0.036(3) -0.001(2) 0.005(2) 0.001(2) C51A 0.031(2) 0.049(3) 0.036(3) -0.010(2) -0.006(2) 0.003(2) C52A 0.041(3) 0.046(3) 0.022(2) -0.004(2) -0.0004(19) 0.024(2) C53A 0.047(3) 0.028(2) 0.031(2) 0.0047(19) 0.008(2) 0.011(2) C54A 0.029(2) 0.025(2) 0.028(2) 0.0005(18) 0.0020(18) 0.0045(18) C55A 0.0200(18) 0.0171(19) 0.0171(18) -0.0022(15) 0.0024(14) -0.0019(15) C56A 0.0209(18) 0.022(2) 0.0170(18) -0.0095(15) 0.0015(14) -0.0046(15) C57A 0.0223(19) 0.023(2) 0.0137(17) -0.0078(15) 0.0020(14) -0.0004(15) C58A 0.0140(15) 0.025(2) 0.0125(16) -0.0027(14) 0.0018(12) 0.0014(14) C59A 0.0121(14) 0.0170(18) 0.0125(14) -0.0024(15) 0.0013(11) 0.0036(16) C60A 0.0194(17) 0.022(2) 0.0116(16) -0.0011(14) 0.0051(13) -0.0081(15) C61A 0.0206(18) 0.027(2) 0.0129(16) -0.0019(15) 0.0051(14) 0.0015(15) C62A 0.026(2) 0.026(2) 0.0161(18) 0.0023(16) 0.0097(15) 0.0012(17) C63A 0.0198(18) 0.021(2) 0.0188(18) -0.0012(15) 0.0078(14) -0.0026(15) C64A 0.041(3) 0.030(3) 0.027(2) -0.0027(19) 0.013(2) -0.015(2) C65A 0.059(3) 0.036(3) 0.028(2) -0.012(2) 0.018(2) -0.031(2) C66A 0.043(3) 0.037(3) 0.018(2) -0.0096(18) 0.0085(18) -0.022(2) C67A 0.041(3) 0.027(2) 0.019(2) 0.0010(17) 0.0056(18) -0.0088(19) C68A 0.058(3) 0.032(3) 0.027(2) 0.002(2) 0.007(2) -0.022(2) C69A 0.052(3) 0.034(3) 0.023(2) 0.0078(19) 0.008(2) -0.016(2) C70A 0.028(2) 0.033(3) 0.0142(18) 0.0051(16) 0.0032(15) -0.0024(18) C71A 0.0166(17) 0.022(2) 0.0128(16) 0.0038(14) 0.0035(13) 0.0047(14) C72A 0.0168(16) 0.019(2) 0.0147(16) 0.0042(15) 0.0018(13) 0.0049(16) C73A 0.033(2) 0.041(3) 0.0145(19) 0.0060(19) 0.0066(17) -0.001(2) C74A 0.033(2) 0.038(3) 0.0119(17) 0.0008(17) 0.0061(16) 0.0069(19) C75A 0.0211(18) 0.024(2) 0.0154(17) -0.0012(15) 0.0022(14) 0.0042(15) C76A 0.029(2) 0.030(2) 0.0154(18) -0.0062(16) 0.0002(15) 0.0096(18) C77A 0.028(2) 0.022(2) 0.021(2) -0.0070(16) -0.0011(16) 0.0029(17) C78A 0.0237(19) 0.018(2) 0.0190(19) 0.0011(15) 0.0006(15) 0.0017(16) Eu1B 0.01801(8) 0.01552(11) 0.01206(8) -0.00218(7) 0.00549(6) -0.00038(7) Eu2B 0.01812(8) 0.01560(9) 0.00949(7) -0.00023(7) 0.00336(6) 0.00333(9) O1B 0.0237(14) 0.0198(14) 0.0172(13) -0.0032(11) 0.0054(11) -0.0020(11) O2B 0.0234(15) 0.0209(15) 0.0201(14) -0.0049(12) 0.0077(12) 0.0009(12) O3B 0.0189(12) 0.0179(14) 0.0121(12) -0.0003(10) 0.0038(10) 0.0033(10) O4B 0.0221(13) 0.0287(16) 0.0108(12) -0.0012(10) 0.0036(10) 0.0009(11) O5B 0.0233(14) 0.0198(15) 0.0219(15) -0.0041(12) 0.0088(12) -0.0023(12) O6B 0.0248(14) 0.0198(15) 0.0178(13) -0.0030(11) 0.0084(11) -0.0044(12) O7B 0.0193(13) 0.0206(15) 0.0140(13) -0.0011(10) 0.0036(10) 0.0029(11) O8B 0.0270(14) 0.0268(15) 0.0141(12) -0.0009(11) 0.0035(10) 0.0114(12) O10B 0.0310(16) 0.0159(14) 0.0297(16) -0.0019(12) 0.0150(13) -0.0016(12) O9B 0.0247(15) 0.0180(15) 0.0380(18) 0.0028(13) 0.0110(13) 0.0015(12) O11B 0.0208(14) 0.0225(15) 0.0240(14) 0.0003(12) 0.0021(11) 0.0055(12) O12B 0.0271(15) 0.0226(15) 0.0148(13) 0.0019(11) 0.0071(11) 0.0080(12) N1B 0.0197(14) 0.0282(18) 0.0147(14) 0.0021(14) 0.0050(11) 0.0019(15) N2B 0.0247(17) 0.028(2) 0.0206(17) -0.0088(14) 0.0096(14) -0.0001(15) N3B 0.0170(15) 0.0212(18) 0.0129(14) -0.0022(12) 0.0018(12) 0.0027(13) N4B 0.0193(15) 0.0198(17) 0.0125(14) 0.0032(12) 0.0013(12) -0.0004(12) C1B 0.0217(19) 0.0165(19) 0.0174(18) -0.0009(15) 0.0035(15) 0.0026(15) C2B 0.0213(19) 0.023(2) 0.022(2) -0.0079(16) 0.0025(15) -0.0045(16) C3B 0.027(2) 0.054(3) 0.023(2) 0.005(2) 0.0036(17) 0.001(2) C4B 0.021(2) 0.031(2) 0.023(2) -0.0005(17) -0.0045(16) -0.0074(17) C5B 0.026(2) 0.038(3) 0.030(2) 0.003(2) 0.0085(18) -0.0013(19) C6B 0.028(2) 0.071(4) 0.028(2) 0.009(2) 0.0056(19) -0.002(2) C7B 0.036(3) 0.065(4) 0.038(3) 0.020(3) -0.001(2) -0.020(3) C8B 0.050(3) 0.041(3) 0.056(4) 0.017(3) -0.006(3) -0.023(3) C9B 0.037(3) 0.033(3) 0.044(3) 0.001(2) -0.003(2) -0.009(2) C10B 0.0190(18) 0.0130(18) 0.0115(16) 0.0001(13) 0.0021(13) -0.0025(14) C11B 0.0199(18) 0.0190(19) 0.0141(17) 0.0002(14) 0.0021(14) 0.0002(15) C12B 0.027(2) 0.026(2) 0.025(2) 0.0087(17) 0.0001(16) -0.0012(17) C13B 0.0167(17) 0.021(2) 0.0179(18) 0.0048(14) 0.0008(14) 0.0047(14) C14B 0.0183(16) 0.028(2) 0.0245(19) -0.0026(17) 0.0020(14) -0.0006(16) C15B 0.026(2) 0.030(2) 0.035(2) -0.0001(19) -0.0040(17) -0.0020(18) C16B 0.0198(19) 0.030(2) 0.053(3) 0.012(2) -0.0009(19) -0.0062(18) C17B 0.025(2) 0.036(3) 0.037(2) 0.0138(19) 0.0117(17) 0.0012(17) C18B 0.0248(19) 0.025(2) 0.024(2) 0.0071(16) 0.0073(15) 0.0041(16) C19B 0.0205(18) 0.0136(19) 0.0185(18) -0.0002(14) 0.0047(15) 0.0001(15) C20B 0.0184(18) 0.019(2) 0.0182(18) 0.0004(15) 0.0031(14) -0.0008(15) C21B 0.032(2) 0.029(2) 0.0186(19) -0.0059(17) 0.0041(16) -0.0062(18) C22B 0.0212(18) 0.021(2) 0.0184(18) -0.0011(15) 0.0032(15) -0.0069(15) C23B 0.040(3) 0.025(2) 0.043(3) 0.007(2) 0.016(2) 0.001(2) C24B 0.051(3) 0.028(3) 0.049(3) 0.014(2) 0.006(3) -0.003(2) C25B 0.055(3) 0.047(3) 0.022(2) 0.007(2) 0.004(2) -0.028(3) C26B 0.052(3) 0.054(4) 0.026(2) -0.010(2) 0.018(2) -0.025(3) C27B 0.034(2) 0.031(2) 0.020(2) -0.0061(17) 0.0097(17) -0.0104(19) C28B 0.0193(18) 0.020(2) 0.0163(18) -0.0003(15) 0.0037(14) 0.0002(16) C29B 0.029(2) 0.030(2) 0.0178(19) -0.0004(16) 0.0053(16) 0.0126(18) C30B 0.031(2) 0.040(3) 0.034(3) -0.001(2) -0.0022(19) 0.014(2) C31B 0.033(2) 0.022(2) 0.022(2) 0.0006(16) 0.0075(17) 0.0131(18) C32B 0.051(3) 0.035(3) 0.021(2) 0.0040(19) 0.006(2) 0.016(2) C33B 0.075(4) 0.038(3) 0.037(3) 0.015(2) 0.023(3) 0.014(3) C34B 0.070(4) 0.029(3) 0.064(4) 0.011(3) 0.028(3) 0.001(3) C35B 0.060(4) 0.036(3) 0.051(3) 0.001(3) 0.001(3) -0.005(3) C36B 0.051(3) 0.028(3) 0.027(2) 0.0020(19) 0.005(2) 0.003(2) C37B 0.028(2) 0.019(2) 0.024(2) 0.0018(16) 0.0139(17) 0.0001(17) C38B 0.035(2) 0.022(2) 0.044(3) 0.0057(19) 0.024(2) 0.0071(18) C39B 0.039(3) 0.035(3) 0.042(3) 0.007(2) 0.026(2) 0.005(2) C40B 0.025(4) 0.018(3) 0.031(4) 0.006(3) 0.018(3) 0.010(3) C41B 0.036(4) 0.024(4) 0.034(4) 0.006(3) 0.010(3) 0.000(3) C42B 0.030(4) 0.040(5) 0.034(4) 0.003(3) 0.001(3) -0.001(3) C43B 0.035(4) 0.036(4) 0.028(4) 0.007(3) 0.008(3) 0.012(3) C44B 0.042(5) 0.019(3) 0.029(4) 0.011(3) 0.016(3) 0.004(3) C45B 0.031(4) 0.019(3) 0.028(4) 0.000(3) 0.013(3) 0.002(3) C40D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C41D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C42D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C43D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C44D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C45D 0.041(7) 0.036(7) 0.044(7) 0.009(5) 0.022(5) 0.012(5) C46B 0.0211(19) 0.024(2) 0.0112(16) -0.0011(15) 0.0012(14) 0.0047(16) C47B 0.027(2) 0.028(2) 0.0182(19) -0.0014(16) 0.0080(16) 0.0094(17) C48B 0.029(2) 0.030(2) 0.030(2) -0.0103(18) 0.0006(17) 0.0083(18) C49B 0.022(2) 0.018(2) 0.027(2) -0.0017(16) 0.0038(16) 0.0069(15) C50B 0.031(2) 0.024(2) 0.028(2) 0.0013(18) 0.0000(18) 0.0049(18) C51B 0.047(3) 0.031(3) 0.034(3) 0.000(2) -0.010(2) 0.011(2) C52B 0.028(2) 0.034(3) 0.067(4) -0.016(3) -0.014(2) 0.010(2) C53B 0.027(2) 0.031(3) 0.073(4) -0.007(3) 0.011(2) 0.002(2) C54B 0.028(2) 0.028(2) 0.049(3) 0.000(2) 0.013(2) 0.0054(18) C55B 0.027(2) 0.036(3) 0.020(2) 0.0019(17) 0.0060(16) -0.0049(18) C56B 0.037(3) 0.037(3) 0.030(2) 0.008(2) 0.0115(19) -0.008(2) C57B 0.034(2) 0.046(3) 0.022(2) 0.011(2) 0.0114(18) 0.003(2) C58B 0.0228(17) 0.043(3) 0.0159(17) 0.0049(19) 0.0053(13) 0.008(2) C59B 0.0188(18) 0.035(2) 0.0135(16) -0.0004(16) 0.0013(14) 0.0074(16) C60B 0.0185(18) 0.033(2) 0.0143(17) -0.0032(16) 0.0026(14) 0.0076(17) C61B 0.034(2) 0.048(3) 0.0145(18) 0.0068(19) 0.0088(16) 0.016(2) C62B 0.032(2) 0.053(3) 0.0120(18) -0.0031(19) 0.0034(16) 0.018(2) C63B 0.022(2) 0.039(3) 0.0180(19) -0.0058(18) 0.0027(15) 0.0125(19) C64B 0.029(2) 0.048(3) 0.026(2) -0.020(2) 0.0025(18) 0.008(2) C65B 0.039(3) 0.036(3) 0.040(3) -0.021(2) 0.013(2) -0.007(2) C66B 0.033(2) 0.035(3) 0.031(2) -0.016(2) 0.0134(19) -0.008(2) C67B 0.028(2) 0.022(2) 0.0192(19) -0.0016(16) 0.0040(16) 0.0028(17) C68B 0.034(2) 0.026(2) 0.024(2) -0.0100(17) 0.0018(18) -0.0025(18) C69B 0.035(2) 0.036(3) 0.0162(19) -0.0114(18) 0.0016(17) 0.008(2) C70B 0.0222(19) 0.032(2) 0.0148(17) -0.0026(16) 0.0037(14) 0.0065(17) C71B 0.0184(18) 0.025(2) 0.0128(17) -0.0007(15) 0.0028(14) 0.0052(15) C72B 0.0187(17) 0.022(2) 0.0145(16) 0.0051(15) 0.0033(13) 0.0032(16) C73B 0.029(2) 0.047(3) 0.0125(18) -0.0005(18) 0.0063(16) 0.010(2) C74B 0.028(2) 0.047(3) 0.0180(19) 0.008(2) 0.0092(16) 0.006(2) C75B 0.0181(18) 0.040(3) 0.0145(17) 0.0093(16) 0.0044(14) 0.0017(16) C76B 0.026(2) 0.040(3) 0.024(2) 0.0127(19) 0.0054(17) -0.0060(19) C77B 0.027(2) 0.028(2) 0.027(2) 0.0084(18) 0.0012(17) -0.0071(17) C78B 0.026(2) 0.023(2) 0.0190(19) 0.0016(15) 0.0027(15) -0.0018(16) O1L 0.0350(19) 0.029(2) 0.053(2) 0.0155(17) -0.0086(17) -0.0033(15) O2L 0.0281(17) 0.043(2) 0.056(2) 0.0143(18) -0.0007(16) 0.0048(15) C1L 0.038(3) 0.031(3) 0.040(3) 0.013(2) 0.004(2) 0.004(2) C2L 0.041(3) 0.038(3) 0.060(4) 0.023(3) -0.008(3) -0.001(2) C3L 0.058(4) 0.044(3) 0.068(4) 0.026(3) -0.006(3) -0.003(3) C4L 0.067(4) 0.037(3) 0.067(4) 0.023(3) -0.021(3) -0.001(3) C5L 0.118(7) 0.039(4) 0.111(7) 0.020(4) -0.033(5) -0.026(4) C6L 0.213(15) 0.034(4) 0.127(11) -0.004(6) -0.066(9) -0.016(7) C7L 0.211(15) 0.071(7) 0.090(8) -0.010(6) -0.041(9) 0.060(9) C8L 0.122(8) 0.111(8) 0.075(6) -0.009(6) -0.034(6) 0.039(7) C9L 0.081(5) 0.072(5) 0.056(4) -0.002(4) -0.031(4) 0.026(4) O3L 0.0419(19) 0.031(2) 0.051(2) -0.0163(17) -0.0132(17) 0.0196(16) O4L 0.073(3) 0.042(2) 0.067(3) -0.022(2) -0.039(2) 0.025(2) C10L 0.032(2) 0.020(2) 0.025(2) 0.0017(17) 0.0005(17) 0.0024(17) C11L 0.035(2) 0.021(2) 0.030(2) 0.0041(17) 0.0093(18) 0.0090(18) C12L 0.029(2) 0.032(3) 0.070(4) 0.010(2) 0.017(2) 0.007(2) C13L 0.029(2) 0.024(2) 0.034(2) -0.0027(18) 0.0064(18) 0.0106(18) C14L 0.045(3) 0.026(2) 0.043(3) -0.001(2) 0.013(2) -0.002(2) C15L 0.046(3) 0.040(3) 0.062(4) 0.004(3) 0.018(3) 0.000(2) C16L 0.041(3) 0.038(3) 0.086(5) -0.011(3) 0.017(3) -0.006(2) C17L 0.034(2) 0.059(4) 0.068(4) -0.020(3) -0.004(2) -0.006(3) C18L 0.036(3) 0.046(3) 0.041(3) -0.009(2) 0.000(2) 0.009(2) O5L 0.036(3) 0.019(2) 0.065(4) -0.007(2) 0.006(2) -0.003(2) O6L 0.029(3) 0.031(3) 0.053(3) 0.001(2) 0.011(2) 0.004(2) C19L 0.029(3) 0.031(4) 0.043(4) -0.007(3) 0.011(3) -0.003(3) C20L 0.038(4) 0.028(4) 0.068(6) -0.010(4) 0.013(4) -0.014(3) C21L 0.087(7) 0.027(4) 0.180(13) 0.004(6) 0.069(8) -0.012(4) C22L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) C23L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) C24L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) C25L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) C26L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) C27L 0.056(2) 0.080(3) 0.105(4) -0.042(3) 0.012(2) 0.002(2) O5K 0.041(7) 0.015(5) 0.030(5) 0.004(4) 0.010(5) -0.007(4) O6K 0.093(10) 0.024(6) 0.041(7) -0.007(5) 0.039(7) -0.012(6) C19K 0.076(13) 0.017(7) 0.031(8) 0.000(6) 0.008(8) -0.007(8) C20K 0.094(17) 0.061(14) 0.025(9) -0.011(9) 0.008(10) -0.056(13) C21K 0.087(7) 0.027(4) 0.180(13) 0.004(6) 0.069(8) -0.012(4) C22K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) C23K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) C24K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) C25K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) C26K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) C27K 0.084(8) 0.050(7) 0.141(12) 0.007(8) -0.023(8) -0.018(6) O7L 0.0274(15) 0.0302(18) 0.048(2) -0.0064(15) 0.0085(14) -0.0018(13) O8L 0.064(2) 0.043(2) 0.0321(19) -0.0098(16) 0.0036(17) -0.0089(18) C28L 0.034(2) 0.027(2) 0.030(2) 0.0040(18) -0.0006(18) 0.0042(18) C29L 0.046(3) 0.029(3) 0.032(2) 0.0034(19) 0.010(2) 0.000(2) C30L 0.077(4) 0.069(4) 0.033(3) 0.012(3) 0.014(3) -0.009(4) C31L 0.031(2) 0.027(2) 0.033(2) 0.0012(19) 0.0110(17) -0.0027(18) C32L 0.025(2) 0.044(3) 0.034(2) -0.006(2) 0.0110(18) 0.0003(19) C33L 0.028(2) 0.050(3) 0.036(2) -0.009(2) 0.0099(18) -0.003(2) C34L 0.027(2) 0.042(3) 0.045(3) -0.001(2) 0.0039(19) -0.002(2) C35L 0.032(2) 0.037(3) 0.054(3) -0.010(2) 0.010(2) 0.004(2) C36L 0.043(2) 0.036(3) 0.037(2) -0.010(2) 0.015(2) -0.003(2) O9L 0.050(2) 0.057(3) 0.039(2) 0.0187(18) 0.0113(17) -0.0004(19) O10L 0.070(3) 0.062(3) 0.092(4) 0.036(3) -0.024(3) -0.012(2) C37L 0.050(3) 0.034(3) 0.042(3) 0.001(2) 0.006(2) 0.008(2) C38L 0.057(3) 0.028(3) 0.041(3) 0.007(2) 0.018(2) 0.012(2) C39L 0.093(5) 0.034(3) 0.060(4) -0.005(3) 0.009(4) -0.016(3) C40L 0.031(2) 0.030(2) 0.038(3) 0.002(2) 0.015(2) 0.0004(19) C41L 0.052(3) 0.051(3) 0.048(3) 0.015(3) 0.022(3) 0.021(3) C42L 0.049(3) 0.078(5) 0.040(3) 0.014(3) 0.013(3) 0.008(3) C43L 0.041(3) 0.063(4) 0.045(3) -0.010(3) 0.018(2) -0.016(3) C44L 0.042(3) 0.041(3) 0.053(3) -0.016(3) 0.019(3) -0.011(2) C45L 0.030(2) 0.027(2) 0.052(3) -0.005(2) 0.009(2) -0.0041(19) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle O1A Eu1A O7A 78.76(10) O1A Eu1A O5A 137.39(9) O7A Eu1A O5A 74.91(10) O1A Eu1A O10A 127.46(10) O7A Eu1A O10A 86.37(10) O5A Eu1A O10A 83.73(10) O1A Eu1A O4A 82.56(10) O7A Eu1A O4A 130.24(9) O5A Eu1A O4A 89.51(10) O10A Eu1A O4A 139.42(10) O1A Eu1A O9A 74.84(10) O7A Eu1A O9A 79.29(9) O5A Eu1A O9A 130.49(10) O10A Eu1A O9A 52.86(10) O4A Eu1A O9A 138.22(9) O1A Eu1A N1A 78.40(10) O7A Eu1A N1A 144.05(11) O5A Eu1A N1A 138.68(10) O10A Eu1A N1A 85.90(10) O4A Eu1A N1A 73.22(9) O9A Eu1A N1A 68.15(10) O1A Eu1A O3A 70.64(9) O7A Eu1A O3A 79.19(9) O5A Eu1A O3A 71.93(9) O10A Eu1A O3A 154.17(9) O4A Eu1A O3A 51.08(8) O9A Eu1A O3A 142.13(9) N1A Eu1A O3A 118.11(9) O1A Eu1A N2A 136.06(10) O7A Eu1A N2A 145.17(10) O5A Eu1A N2A 76.26(9) O10A Eu1A N2A 71.38(10) O4A Eu1A N2A 68.14(10) O9A Eu1A N2A 105.76(10) N1A Eu1A N2A 62.52(10) O3A Eu1A N2A 109.73(9) O1A Eu1A C37A 101.54(12) O7A Eu1A C37A 84.59(10) O5A Eu1A C37A 108.57(12) O10A Eu1A C37A 26.40(12) O4A Eu1A C37A 144.60(10) O9A Eu1A C37A 26.70(12) N1A Eu1A C37A 73.28(11) O3A Eu1A C37A 163.06(10) N2A Eu1A C37A 86.44(11) O1A Eu1A C10A 78.46(11) O7A Eu1A C10A 105.05(10) O5A Eu1A C10A 76.83(10) O10A Eu1A C10A 153.75(11) O4A Eu1A C10A 25.50(9) O9A Eu1A C10A 151.55(10) N1A Eu1A C10A 97.11(10) O3A Eu1A C10A 25.98(9) N2A Eu1A C10A 86.83(11) C37A Eu1A C10A 170.07(10) O1A Eu1A Eu2A 69.45(7) O7A Eu1A Eu2A 44.54(7) O5A Eu1A Eu2A 68.24(6) O10A Eu1A Eu2A 127.35(7) O4A Eu1A Eu2A 85.72(6) O9A Eu1A Eu2A 117.08(6) N1A Eu1A Eu2A 143.54(7) O3A Eu1A Eu2A 34.65(6) N2A Eu1A Eu2A 135.81(7) C37A Eu1A Eu2A 128.93(8) C10A Eu1A Eu2A 60.56(7) O6A Eu2A O3A 75.85(9) O6A Eu2A O2A 135.60(9) O3A Eu2A O2A 73.31(9) O6A Eu2A O8A 77.80(11) O3A Eu2A O8A 123.87(9) O2A Eu2A O8A 93.80(10) O6A Eu2A O12A 130.12(10) O3A Eu2A O12A 93.05(10) O2A Eu2A O12A 82.91(10) O8A Eu2A O12A 140.43(10) O6A Eu2A O11A 77.99(10) O3A Eu2A O11A 78.51(9) O2A Eu2A O11A 124.82(10) O8A Eu2A O11A 140.86(10) O12A Eu2A O11A 52.13(9) O6A Eu2A N4A 81.43(10) O3A Eu2A N4A 144.55(11) O2A Eu2A N4A 139.28(10) O8A Eu2A N4A 76.03(10) O12A Eu2A N4A 81.11(10) O11A Eu2A N4A 70.31(10) O6A Eu2A N3A 135.66(10) O3A Eu2A N3A 147.43(10) O2A Eu2A N3A 75.90(10) O8A Eu2A N3A 68.27(10) O12A Eu2A N3A 72.72(10) O11A Eu2A N3A 111.63(10) N4A Eu2A N3A 63.64(11) O6A Eu2A O7A 70.55(9) O3A Eu2A O7A 75.37(8) O2A Eu2A O7A 71.27(9) O8A Eu2A O7A 49.21(8) O12A Eu2A O7A 153.75(9) O11A Eu2A O7A 143.00(9) N4A Eu2A O7A 121.83(9) N3A Eu2A O7A 104.47(9) O6A Eu2A C46A 104.25(12) O3A Eu2A C46A 87.82(10) O2A Eu2A C46A 105.67(11) O8A Eu2A C46A 146.89(10) O12A Eu2A C46A 25.94(11) O11A Eu2A C46A 26.42(11) N4A Eu2A C46A 71.72(10) N3A Eu2A C46A 90.46(11) O7A Eu2A C46A 163.12(9) O6A Eu2A C28A 74.53(10) O3A Eu2A C28A 100.49(10) O2A Eu2A C28A 80.53(10) O8A Eu2A C28A 24.14(10) O12A Eu2A C28A 154.55(10) O11A Eu2A C28A 151.82(10) N4A Eu2A C28A 99.21(10) N3A Eu2A C28A 84.55(10) O7A Eu2A C28A 25.21(9) C46A Eu2A C28A 170.89(11) O6A Eu2A Eu1A 68.59(7) O3A Eu2A Eu1A 39.06(7) O2A Eu2A Eu1A 67.28(6) O8A Eu2A Eu1A 85.18(6) O12A Eu2A Eu1A 128.02(7) O11A Eu2A Eu1A 113.50(6) N4A Eu2A Eu1A 147.43(7) N3A Eu2A Eu1A 132.67(7) O7A Eu2A Eu1A 36.32(5) C46A Eu2A Eu1A 126.86(8) C28A Eu2A Eu1A 61.47(7) C1A O1A Eu1A 135.7(3) C1A O2A Eu2A 137.2(3) C10A O3A Eu2A 162.8(3) C10A O3A Eu1A 90.0(2) Eu2A O3A Eu1A 106.29(10) C10A O4A Eu1A 96.9(2) C19A O5A Eu1A 136.4(2) C19A O6A Eu2A 138.8(3) C28A O7A Eu1A 174.2(3) C28A O7A Eu2A 83.9(2) Eu1A O7A Eu2A 99.15(10) C28A O8A Eu2A 104.2(2) C37A O9A Eu1A 91.8(3) C37A O10A Eu1A 92.9(2) C46A O11A Eu2A 92.3(2) C46A O12A Eu2A 93.9(2) C55A N1A C59A 117.6(3) C55A N1A Eu1A 121.4(2) C59A N1A Eu1A 121.0(2) C66A N2A C60A 117.4(3) C66A N2A Eu1A 122.2(3) C60A N2A Eu1A 120.3(2) C67A N3A C71A 118.1(3) C67A N3A Eu2A 122.8(3) C71A N3A Eu2A 119.0(3) C78A N4A C72A 118.0(3) C78A N4A Eu2A 121.4(3) C72A N4A Eu2A 120.5(3) O2A C1A O1A 125.8(4) O2A C1A C2A 118.1(3) O1A C1A C2A 116.1(3) C4A C2A C1A 113.1(3) C4A C2A C3A 113.9(4) C1A C2A C3A 107.7(4) C4A C2A H2A 107.2 C1A C2A H2A 107.2 C3A C2A H2A 107.2 C2A C3A H3AA 109.5 C2A C3A H3AB 109.5 H3AA C3A H3AB 109.5 C2A C3A H3AC 109.5 H3AA C3A H3AC 109.5 H3AB C3A H3AC 109.5 C5A C4A C9A 119.1(5) C5A C4A C2A 123.3(5) C9A C4A C2A 117.7(4) C4A C5A C6A 118.5(7) C4A C5A H5A 120.7 C6A C5A H5A 120.7 C7A C6A C5A 119.9(7) C7A C6A H6A 120.0 C5A C6A H6A 120.0 C8A C7A C6A 121.4(6) C8A C7A H7A 119.3 C6A C7A H7A 119.3 C7A C8A C9A 120.1(7) C7A C8A H8A 119.9 C9A C8A H8A 119.9 C8A C9A C4A 121.0(6) C8A C9A H9A 119.5 C4A C9A H9A 119.5 O4A C10A O3A 120.1(4) O4A C10A C11A 120.2(3) O3A C10A C11A 119.7(3) O4A C10A Eu1A 57.6(2) O3A C10A Eu1A 64.0(2) C11A C10A Eu1A 167.6(3) C10A C11A C13A 109.7(3) C10A C11A C12A 108.1(3) C13A C11A C12A 115.4(3) C10A C11A H11A 107.8 C13A C11A H11A 107.8 C12A C11A H11A 107.8 C11A C12A H12A 109.5 C11A C12A H12B 109.5 H12A C12A H12B 109.5 C11A C12A H12C 109.5 H12A C12A H12C 109.5 H12B C12A H12C 109.5 C14A C13A C18A 118.2(4) C14A C13A C11A 123.0(4) C18A C13A C11A 118.8(4) C13A C14A C15A 120.5(4) C13A C14A H14A 119.7 C15A C14A H14A 119.7 C16A C15A C14A 120.7(4) C16A C15A H15A 119.7 C14A C15A H15A 119.7 C17A C16A C15A 119.0(4) C17A C16A H16A 120.5 C15A C16A H16A 120.5 C16A C17A C18A 120.3(4) C16A C17A H17A 119.9 C18A C17A H17A 119.9 C17A C18A C13A 121.3(4) C17A C18A H18A 119.4 C13A C18A H18A 119.4 O6A C19A O5A 126.0(4) O6A C19A C20A 115.6(3) O5A C19A C20A 118.4(3) C22A C20A C21A 113.3(4) C22A C20A C19A 111.1(4) C21A C20A C19A 113.9(3) C21A C20A C22C 104.8(6) C19A C20A C22C 101.3(6) C22A C20A H20A 106.0 C21A C20A H20A 106.0 C19A C20A H20A 106.0 C20A C21A H21A 109.5 C20A C21A H21B 109.5 H21A C21A H21B 109.5 C20A C21A H21C 109.5 H21A C21A H21C 109.5 H21B C21A H21C 109.5 C23A C22A C27A 116.8(6) C23A C22A C20A 122.7(5) C27A C22A C20A 120.4(5) C24A C23A C22A 121.4(6) C24A C23A H23A 119.3 C22A C23A H23A 119.3 C25A C24A C23A 120.4(7) C25A C24A H24A 119.8 C23A C24A H24A 119.8 C26A C25A C24A 120.1(7) C26A C25A H25A 119.9 C24A C25A H25A 119.9 C25A C26A C27A 119.4(6) C25A C26A H26A 120.3 C27A C26A H26A 120.3 C26A C27A C22A 121.9(6) C26A C27A H27A 119.1 C22A C27A H27A 119.1 C23C C22C C27C 120.0 C23C C22C C20A 121.1(8) C27C C22C C20A 118.8(8) C22C C23C C24C 120.0 C22C C23C H23C 120.0 C24C C23C H23C 120.0 C23C C24C C25C 120.0 C23C C24C H24C 120.0 C25C C24C H24C 120.0 C26C C25C C24C 120.0 C26C C25C H25C 120.0 C24C C25C H25C 120.0 C25C C26C C27C 120.0 C25C C26C H26C 120.0 C27C C26C H26C 120.0 C26C C27C C22C 120.0 C26C C27C H27C 120.0 C22C C27C H27C 120.0 O8A C28A O7A 122.1(4) O8A C28A C29A 116.2(3) O7A C28A C29A 121.7(3) O8A C28A Eu2A 51.7(2) O7A C28A Eu2A 70.9(2) C29A C28A Eu2A 164.0(3) C31A C29A C30A 111.2(3) C31A C29A C28A 107.8(3) C30A C29A C28A 115.0(3) C31A C29A H29A 107.5 C30A C29A H29A 107.5 C28A C29A H29A 107.5 C29A C30A H30A 109.5 C29A C30A H30B 109.5 H30A C30A H30B 109.5 C29A C30A H30C 109.5 H30A C30A H30C 109.5 H30B C30A H30C 109.5 C32A C31A C36A 118.9(4) C32A C31A C29A 120.7(4) C36A C31A C29A 120.4(4) C33A C32A C31A 120.7(5) C33A C32A H32A 119.6 C31A C32A H32A 119.6 C32A C33A C34A 120.6(5) C32A C33A H33A 119.7 C34A C33A H33A 119.7 C33A C34A C35A 119.3(5) C33A C34A H34A 120.4 C35A C34A H34A 120.4 C36A C35A C34A 120.3(4) C36A C35A H35A 119.8 C34A C35A H35A 119.8 C35A C36A C31A 120.3(4) C35A C36A H36A 119.9 C31A C36A H36A 119.9 O10A C37A O9A 121.4(4) O10A C37A C38A 119.7(4) O9A C37A C38A 118.8(4) O10A C37A Eu1A 60.7(2) O9A C37A Eu1A 61.5(2) C38A C37A Eu1A 167.4(3) C39A C38A C40A 114.0(4) C39A C38A C37A 112.3(4) C40A C38A C37A 106.2(3) C39A C38A H38A 108.1 C40A C38A H38A 108.1 C37A C38A H38A 108.1 C38A C39A H39A 109.5 C38A C39A H39B 109.5 H39A C39A H39B 109.5 C38A C39A H39C 109.5 H39A C39A H39C 109.5 H39B C39A H39C 109.5 C45A C40A C41A 119.1(4) C45A C40A C38A 120.4(4) C41A C40A C38A 120.5(4) C40A C41A C42A 119.4(5) C40A C41A H41A 120.3 C42A C41A H41A 120.3 C43A C42A C41A 120.1(5) C43A C42A H42A 119.9 C41A C42A H42A 119.9 C44A C43A C42A 120.5(4) C44A C43A H43A 119.7 C42A C43A H43A 119.7 C43A C44A C45A 119.8(5) C43A C44A H44A 120.1 C45A C44A H44A 120.1 C40A C45A C44A 121.1(5) C40A C45A H45A 119.5 C44A C45A H45A 119.5 O12A C46A O11A 120.6(4) O12A C46A C47A 120.6(4) O11A C46A C47A 118.7(4) O12A C46A Eu2A 60.2(2) O11A C46A Eu2A 61.3(2) C47A C46A Eu2A 169.4(3) C48A C47A C46A 110.7(4) C48A C47A C49A 114.2(4) C46A C47A C49A 109.4(3) C48A C47A H47A 107.4 C46A C47A H47A 107.4 C49A C47A H47A 107.4 C47A C48A H48A 109.5 C47A C48A H48B 109.5 H48A C48A H48B 109.5 C47A C48A H48C 109.5 H48A C48A H48C 109.5 H48B C48A H48C 109.5 C50A C49A C54A 118.3(4) C50A C49A C47A 122.2(4) C54A C49A C47A 119.5(4) C49A C50A C51A 120.7(5) C49A C50A H50A 119.6 C51A C50A H50A 119.6 C52A C51A C50A 120.4(5) C52A C51A H51A 119.8 C50A C51A H51A 119.8 C51A C52A C53A 119.7(4) C51A C52A H52A 120.1 C53A C52A H52A 120.1 C52A C53A C54A 119.9(5) C52A C53A H53A 120.0 C54A C53A H53A 120.0 C49A C54A C53A 120.9(4) C49A C54A H54A 119.6 C53A C54A H54A 119.6 N1A C55A C56A 123.8(4) N1A C55A H55A 118.1 C56A C55A H55A 118.1 C57A C56A C55A 118.6(4) C57A C56A H56A 120.7 C55A C56A H56A 120.7 C56A C57A C58A 119.4(3) C56A C57A H57A 120.3 C58A C57A H57A 120.3 C57A C58A C59A 118.4(3) C57A C58A C61A 122.4(3) C59A C58A C61A 119.3(4) N1A C59A C58A 122.3(4) N1A C59A C60A 117.6(3) C58A C59A C60A 120.1(3) N2A C60A C63A 122.9(4) N2A C60A C59A 118.5(3) C63A C60A C59A 118.6(3) C62A C61A C58A 121.0(3) C62A C61A H61A 119.5 C58A C61A H61A 119.5 C61A C62A C63A 121.2(4) C61A C62A H62A 119.4 C63A C62A H62A 119.4 C64A C63A C60A 117.8(4) C64A C63A C62A 122.4(4) C60A C63A C62A 119.8(4) C65A C64A C63A 119.1(4) C65A C64A H64A 120.5 C63A C64A H64A 120.5 C64A C65A C66A 119.4(4) C64A C65A H65A 120.3 C66A C65A H65A 120.3 N2A C66A C65A 123.4(4) N2A C66A H66A 118.3 C65A C66A H66A 118.3 N3A C67A C68A 124.2(4) N3A C67A H67A 117.9 C68A C67A H67A 117.9 C69A C68A C67A 118.5(5) C69A C68A H68A 120.8 C67A C68A H68A 120.8 C68A C69A C70A 119.6(4) C68A C69A H69A 120.2 C70A C69A H69A 120.2 C69A C70A C71A 118.2(4) C69A C70A C73A 122.7(4) C71A C70A C73A 119.1(4) N3A C71A C70A 121.5(4) N3A C71A C72A 118.9(3) C70A C71A C72A 119.6(3) N4A C72A C75A 122.9(4) N4A C72A C71A 117.9(3) C75A C72A C71A 119.2(3) C74A C73A C70A 121.6(4) C74A C73A H73A 119.2 C70A C73A H73A 119.2 C73A C74A C75A 120.4(4) C73A C74A H74A 119.8 C75A C74A H74A 119.8 C76A C75A C72A 117.2(4) C76A C75A C74A 122.7(4) C72A C75A C74A 120.1(4) C77A C76A C75A 119.5(4) C77A C76A H76A 120.2 C75A C76A H76A 120.2 C76A C77A C78A 119.6(4) C76A C77A H77A 120.2 C78A C77A H77A 120.2 N4A C78A C77A 122.8(4) N4A C78A H78A 118.6 C77A C78A H78A 118.6 O1B Eu1B O5B 138.25(9) O1B Eu1B O7B 75.98(10) O5B Eu1B O7B 77.22(10) O1B Eu1B O9B 78.92(10) O5B Eu1B O9B 129.58(10) O7B Eu1B O9B 84.99(10) O1B Eu1B O4B 87.77(9) O5B Eu1B O4B 82.65(10) O7B Eu1B O4B 125.87(9) O9B Eu1B O4B 142.33(9) O1B Eu1B O10B 124.92(10) O5B Eu1B O10B 77.80(10) O7B Eu1B O10B 76.23(9) O9B Eu1B O10B 52.09(9) O4B Eu1B O10B 146.11(10) O1B Eu1B O3B 72.23(9) O5B Eu1B O3B 70.14(9) O7B Eu1B O3B 74.64(8) O9B Eu1B O3B 147.85(9) O4B Eu1B O3B 51.25(8) O10B Eu1B O3B 140.46(9) O1B Eu1B N2B 140.22(10) O5B Eu1B N2B 77.59(10) O7B Eu1B N2B 140.71(11) O9B Eu1B N2B 88.34(11) O4B Eu1B N2B 79.67(10) O10B Eu1B N2B 69.30(11) O3B Eu1B N2B 123.08(10) O1B Eu1B N1B 77.70(10) O5B Eu1B N1B 134.74(10) O7B Eu1B N1B 147.97(10) O9B Eu1B N1B 72.26(10) O4B Eu1B N1B 70.52(9) O10B Eu1B N1B 105.00(10) O3B Eu1B N1B 113.91(9) N2B Eu1B N1B 62.52(11) O1B Eu1B C37B 102.83(11) O5B Eu1B C37B 104.09(11) O7B Eu1B C37B 81.34(11) O9B Eu1B C37B 25.90(11) O4B Eu1B C37B 152.71(10) O10B Eu1B C37B 26.30(10) O3B Eu1B C37B 155.97(10) N2B Eu1B C37B 76.15(12) N1B Eu1B C37B 87.05(10) O1B Eu1B C10B 79.79(10) O5B Eu1B C10B 74.41(10) O7B Eu1B C10B 100.65(9) O9B Eu1B C10B 155.90(10) O4B Eu1B C10B 25.22(9) O10B Eu1B C10B 152.00(10) O3B Eu1B C10B 26.05(9) N2B Eu1B C10B 101.01(11) N1B Eu1B C10B 92.28(10) C37B Eu1B C10B 177.07(12) O1B Eu1B Eu2B 69.13(6) O5B Eu1B Eu2B 69.78(7) O7B Eu1B Eu2B 39.48(7) O9B Eu1B Eu2B 120.08(7) O4B Eu1B Eu2B 86.42(6) O10B Eu1B Eu2B 111.78(6) O3B Eu1B Eu2B 35.17(6) N2B Eu1B Eu2B 145.88(8) N1B Eu1B Eu2B 140.17(8) C37B Eu1B Eu2B 120.82(8) C10B Eu1B Eu2B 61.21(7) O3B Eu2B O2B 77.38(10) O3B Eu2B O6B 72.11(9) O2B Eu2B O6B 137.81(9) O3B Eu2B O8B 126.51(9) O2B Eu2B O8B 77.87(10) O6B Eu2B O8B 97.56(10) O3B Eu2B O11B 95.49(9) O2B Eu2B O11B 123.75(10) O6B Eu2B O11B 88.02(10) O8B Eu2B O11B 137.39(9) O3B Eu2B O12B 76.15(9) O2B Eu2B O12B 72.80(10) O6B Eu2B O12B 124.97(10) O8B Eu2B O12B 137.31(10) O11B Eu2B O12B 51.67(9) O3B Eu2B O7B 75.29(8) O2B Eu2B O7B 70.75(9) O6B Eu2B O7B 73.77(9) O8B Eu2B O7B 51.89(8) O11B Eu2B O7B 161.33(9) O12B Eu2B O7B 137.52(9) O3B Eu2B N3B 144.87(10) O2B Eu2B N3B 82.36(10) O6B Eu2B N3B 137.75(10) O8B Eu2B N3B 75.45(9) O11B Eu2B N3B 72.49(10) O12B Eu2B N3B 70.54(9) O7B Eu2B N3B 124.12(9) O3B Eu2B N4B 144.83(10) O2B Eu2B N4B 137.21(10) O6B Eu2B N4B 74.81(9) O8B Eu2B N4B 69.32(10) O11B Eu2B N4B 71.62(10) O12B Eu2B N4B 114.95(9) O7B Eu2B N4B 106.52(9) N3B Eu2B N4B 63.65(10) O3B Eu2B C28B 101.60(10) O2B Eu2B C28B 74.83(11) O6B Eu2B C28B 83.44(11) O8B Eu2B C28B 25.71(10) O11B Eu2B C28B 157.48(10) O12B Eu2B C28B 147.23(10) O7B Eu2B C28B 26.37(9) N3B Eu2B C28B 100.36(10) N4B Eu2B C28B 86.02(10) O3B Eu2B C46B 88.60(10) O2B Eu2B C46B 97.38(11) O6B Eu2B C46B 110.09(11) O8B Eu2B C46B 141.22(10) O11B Eu2B C46B 26.40(11) O12B Eu2B C46B 25.73(10) O7B Eu2B C46B 161.59(10) N3B Eu2B C46B 65.78(10) N4B Eu2B C46B 91.77(11) C28B Eu2B C46B 165.23(11) O3B Eu2B Eu1B 39.19(6) O2B Eu2B Eu1B 68.96(7) O6B Eu2B Eu1B 68.95(6) O8B Eu2B Eu1B 87.59(6) O11B Eu2B Eu1B 132.87(7) O12B Eu2B Eu1B 109.28(6) O7B Eu2B Eu1B 36.11(6) N3B Eu2B Eu1B 149.27(7) N4B Eu2B Eu1B 133.64(7) C28B Eu2B Eu1B 62.41(7) C46B Eu2B Eu1B 127.10(7) C1B O1B Eu1B 134.3(3) C1B O2B Eu2B 136.4(3) C10B O3B Eu2B 161.7(2) C10B O3B Eu1B 92.5(2) Eu2B O3B Eu1B 105.64(10) C10B O4B Eu1B 96.0(2) C19B O5B Eu1B 136.6(3) C19B O6B Eu2B 135.1(2) C28B O7B Eu1B 164.5(3) C28B O7B Eu2B 90.2(2) Eu1B O7B Eu2B 104.42(10) C28B O8B Eu2B 96.8(2) C37B O10B Eu1B 91.8(2) C37B O9B Eu1B 94.7(3) C46B O11B Eu2B 94.3(2) C46B O12B Eu2B 92.1(2) C55B N1B C59B 117.6(3) C55B N1B Eu1B 122.4(3) C59B N1B Eu1B 120.0(3) C66B N2B C60B 117.9(4) C66B N2B Eu1B 120.7(3) C60B N2B Eu1B 121.4(3) C67B N3B C71B 118.8(3) C67B N3B Eu2B 121.6(3) C71B N3B Eu2B 119.5(3) C78B N4B C72B 117.8(3) C78B N4B Eu2B 123.0(2) C72B N4B Eu2B 119.2(2) O2B C1B O1B 125.7(4) O2B C1B C2B 115.6(3) O1B C1B C2B 118.6(3) C4B C2B C1B 115.1(3) C4B C2B C3B 112.0(3) C1B C2B C3B 106.6(3) C4B C2B H2B 107.6 C1B C2B H2B 107.6 C3B C2B H2B 107.6 C2B C3B H3BA 109.5 C2B C3B H3BB 109.5 H3BA C3B H3BB 109.5 C2B C3B H3BC 109.5 H3BA C3B H3BC 109.5 H3BB C3B H3BC 109.5 C5B C4B C9B 118.0(4) C5B C4B C2B 122.9(4) C9B C4B C2B 119.1(4) C4B C5B C6B 121.0(5) C4B C5B H5B 119.5 C6B C5B H5B 119.5 C7B C6B C5B 120.1(5) C7B C6B H6B 119.9 C5B C6B H6B 119.9 C6B C7B C8B 119.6(5) C6B C7B H7B 120.2 C8B C7B H7B 120.2 C7B C8B C9B 119.9(5) C7B C8B H8B 120.0 C9B C8B H8B 120.0 C8B C9B C4B 121.3(5) C8B C9B H9B 119.3 C4B C9B H9B 119.3 O4B C10B O3B 120.2(3) O4B C10B C11B 122.1(3) O3B C10B C11B 117.7(3) O4B C10B Eu1B 58.8(2) O3B C10B Eu1B 61.40(19) C11B C10B Eu1B 175.1(3) C13B C11B C10B 108.3(3) C13B C11B C12B 112.8(3) C10B C11B C12B 111.9(3) C13B C11B H11B 107.9 C10B C11B H11B 107.9 C12B C11B H11B 107.9 C11B C12B H12D 109.5 C11B C12B H12E 109.5 H12D C12B H12E 109.5 C11B C12B H12F 109.5 H12D C12B H12F 109.5 H12E C12B H12F 109.5 C14B C13B C18B 118.3(4) C14B C13B C11B 121.0(3) C18B C13B C11B 120.7(4) C15B C14B C13B 121.4(4) C15B C14B H14B 119.3 C13B C14B H14B 119.3 C14B C15B C16B 119.8(4) C14B C15B H15B 120.1 C16B C15B H15B 120.1 C17B C16B C15B 119.4(4) C17B C16B H16B 120.3 C15B C16B H16B 120.3 C16B C17B C18B 120.6(4) C16B C17B H17B 119.7 C18B C17B H17B 119.7 C17B C18B C13B 120.5(4) C17B C18B H18B 119.7 C13B C18B H18B 119.7 O5B C19B O6B 125.4(4) O5B C19B C20B 117.7(3) O6B C19B C20B 116.8(3) C22B C20B C19B 113.1(3) C22B C20B C21B 111.9(3) C19B C20B C21B 112.4(3) C22B C20B H20B 106.3 C19B C20B H20B 106.3 C21B C20B H20B 106.3 C20B C21B H21D 109.5 C20B C21B H21E 109.5 H21D C21B H21E 109.5 C20B C21B H21F 109.5 H21D C21B H21F 109.5 H21E C21B H21F 109.5 C27B C22B C23B 117.8(4) C27B C22B C20B 120.3(4) C23B C22B C20B 121.8(4) C22B C23B C24B 121.1(5) C22B C23B H23B 119.5 C24B C23B H23B 119.5 C25B C24B C23B 120.0(5) C25B C24B H24B 120.0 C23B C24B H24B 120.0 C26B C25B C24B 119.6(4) C26B C25B H25B 120.2 C24B C25B H25B 120.2 C25B C26B C27B 120.6(5) C25B C26B H26B 119.7 C27B C26B H26B 119.7 C22B C27B C26B 120.9(5) C22B C27B H27B 119.6 C26B C27B H27B 119.6 O8B C28B O7B 120.2(4) O8B C28B C29B 119.4(3) O7B C28B C29B 120.2(3) O8B C28B Eu2B 57.5(2) O7B C28B Eu2B 63.4(2) C29B C28B Eu2B 167.3(3) C28B C29B C31B 106.7(3) C28B C29B C30B 109.9(4) C31B C29B C30B 114.9(4) C28B C29B H29B 108.4 C31B C29B H29B 108.4 C30B C29B H29B 108.4 C29B C30B H30D 109.5 C29B C30B H30E 109.5 H30D C30B H30E 109.5 C29B C30B H30F 109.5 H30D C30B H30F 109.5 H30E C30B H30F 109.5 C36B C31B C32B 118.6(5) C36B C31B C29B 119.3(4) C32B C31B C29B 122.0(4) C33B C32B C31B 120.7(5) C33B C32B H32B 119.6 C31B C32B H32B 119.6 C34B C33B C32B 120.1(5) C34B C33B H33B 120.0 C32B C33B H33B 120.0 C33B C34B C35B 119.6(5) C33B C34B H34B 120.2 C35B C34B H34B 120.2 C36B C35B C34B 120.0(6) C36B C35B H35B 120.0 C34B C35B H35B 120.0 C31B C36B C35B 121.0(5) C31B C36B H36B 119.5 C35B C36B H36B 119.5 O9B C37B O10B 121.0(4) O9B C37B C38B 120.1(4) O10B C37B C38B 119.0(4) O9B C37B Eu1B 59.4(2) O10B C37B Eu1B 61.9(2) C38B C37B Eu1B 173.5(3) C40D C38B C39B 120.8(10) C40D C38B C37B 110.4(11) C39B C38B C37B 110.4(4) C39B C38B C40B 111.6(5) C37B C38B C40B 108.7(4) C39B C38B H38B 108.7 C37B C38B H38B 108.7 C40B C38B H38B 108.7 C38B C39B H39D 109.5 C38B C39B H39E 109.5 H39D C39B H39E 109.5 C38B C39B H39F 109.5 H39D C39B H39F 109.5 H39E C39B H39F 109.5 C41B C40B C45B 117.1(6) C41B C40B C38B 123.8(6) C45B C40B C38B 119.1(6) C40B C41B C42B 121.8(6) C40B C41B H41B 119.1 C42B C41B H41B 119.1 C43B C42B C41B 120.1(7) C43B C42B H42B 119.9 C41B C42B H42B 119.9 C44B C43B C42B 118.8(6) C44B C43B H43B 120.6 C42B C43B H43B 120.6 C45B C44B C43B 121.0(6) C45B C44B H44B 119.5 C43B C44B H44B 119.5 C44B C45B C40B 121.1(6) C44B C45B H45B 119.5 C40B C45B H45B 119.5 C38B C40D C41D 114.6(13) C38B C40D C45D 125.4(13) C41D C40D C45D 120.0 C42D C41D C40D 120.0 C42D C41D H41D 120.0 C40D C41D H41D 120.0 C43D C42D C41D 120.0 C43D C42D H42D 120.0 C41D C42D H42D 120.0 C44D C43D C42D 120.0 C44D C43D H43D 120.0 C42D C43D H43D 120.0 C43D C44D C45D 120.0 C43D C44D H44D 120.0 C45D C44D H44D 120.0 C44D C45D C40D 120.0 C44D C45D H45D 120.0 C40D C45D H45D 120.0 O12B C46B O11B 119.8(4) O12B C46B C47B 121.5(4) O11B C46B C47B 118.7(3) O12B C46B Eu2B 62.2(2) O11B C46B Eu2B 59.31(19) C47B C46B Eu2B 165.9(3) C48B C47B C46B 112.3(3) C48B C47B C49B 113.5(3) C46B C47B C49B 108.3(3) C48B C47B H47B 107.5 C46B C47B H47B 107.5 C49B C47B H47B 107.5 C47B C48B H48D 109.5 C47B C48B H48E 109.5 H48D C48B H48E 109.5 C47B C48B H48F 109.5 H48D C48B H48F 109.5 H48E C48B H48F 109.5 C54B C49B C50B 119.3(4) C54B C49B C47B 119.9(4) C50B C49B C47B 120.7(4) C49B C50B C51B 119.7(5) C49B C50B H50B 120.1 C51B C50B H50B 120.1 C52B C51B C50B 120.0(5) C52B C51B H51B 120.0 C50B C51B H51B 120.0 C53B C52B C51B 120.0(5) C53B C52B H52B 120.0 C51B C52B H52B 120.0 C52B C53B C54B 119.9(5) C52B C53B H53B 120.1 C54B C53B H53B 120.1 C53B C54B C49B 121.1(5) C53B C54B H54B 119.5 C49B C54B H54B 119.5 N1B C55B C56B 124.2(4) N1B C55B H55B 117.9 C56B C55B H55B 117.9 C57B C56B C55B 118.5(5) C57B C56B H56B 120.8 C55B C56B H56B 120.8 C56B C57B C58B 119.5(4) C56B C57B H57B 120.3 C58B C57B H57B 120.3 C57B C58B C59B 118.4(4) C57B C58B C61B 122.7(4) C59B C58B C61B 118.8(4) N1B C59B C58B 121.9(4) N1B C59B C60B 118.5(3) C58B C59B C60B 119.6(4) N2B C60B C63B 122.3(4) N2B C60B C59B 117.6(3) C63B C60B C59B 120.2(4) C62B C61B C58B 121.2(4) C62B C61B H61B 119.4 C58B C61B H61B 119.4 C61B C62B C63B 121.2(4) C61B C62B H62B 119.4 C63B C62B H62B 119.4 C64B C63B C60B 118.3(4) C64B C63B C62B 122.8(4) C60B C63B C62B 118.9(4) C65B C64B C63B 119.3(4) C65B C64B H64B 120.3 C63B C64B H64B 120.3 C64B C65B C66B 119.3(5) C64B C65B H65B 120.4 C66B C65B H65B 120.4 N2B C66B C65B 123.0(4) N2B C66B H66B 118.5 C65B C66B H66B 118.5 N3B C67B C68B 123.2(4) N3B C67B H67B 118.4 C68B C67B H67B 118.4 C69B C68B C67B 118.3(4) C69B C68B H68B 120.8 C67B C68B H68B 120.8 C68B C69B C70B 120.1(4) C68B C69B H69B 120.0 C70B C69B H69B 120.0 C69B C70B C71B 118.3(4) C69B C70B C73B 122.8(4) C71B C70B C73B 118.9(4) N3B C71B C70B 121.3(4) N3B C71B C72B 118.5(3) C70B C71B C72B 120.2(4) N4B C72B C75B 122.5(4) N4B C72B C71B 118.7(3) C75B C72B C71B 118.8(4) C74B C73B C70B 121.0(4) C74B C73B H73B 119.5 C70B C73B H73B 119.5 C73B C74B C75B 121.6(4) C73B C74B H74B 119.2 C75B C74B H74B 119.2 C76B C75B C72B 117.7(4) C76B C75B C74B 122.7(4) C72B C75B C74B 119.5(4) C77B C76B C75B 119.5(4) C77B C76B H76B 120.2 C75B C76B H76B 120.2 C76B C77B C78B 119.1(4) C76B C77B H77B 120.5 C78B C77B H77B 120.5 N4B C78B C77B 123.4(4) N4B C78B H78B 118.3 C77B C78B H78B 118.3 C1L O1L H1OL 105(4) O2L C1L O1L 124.2(5) O2L C1L C2L 123.3(5) O1L C1L C2L 112.5(4) C4L C2L C1L 110.4(5) C4L C2L C3L 110.0(5) C1L C2L C3L 111.2(5) C4L C2L H2L 108.4 C1L C2L H2L 108.4 C3L C2L H2L 108.4 C2L C3L H3LA 109.5 C2L C3L H3LB 109.5 H3LA C3L H3LB 109.5 C2L C3L H3LC 109.5 H3LA C3L H3LC 109.5 H3LB C3L H3LC 109.5 C9L C4L C5L 116.6(8) C9L C4L C2L 122.9(6) C5L C4L C2L 120.5(8) C4L C5L C6L 119.2(11) C4L C5L H5L 120.4 C6L C5L H5L 120.4 C7L C6L C5L 123.3(12) C7L C6L H6L 118.3 C5L C6L H6L 118.3 C6L C7L C8L 118.0(12) C6L C7L H7L 121.0 C8L C7L H7L 121.0 C7L C8L C9L 118.5(12) C7L C8L H8L 120.8 C9L C8L H8L 120.8 C4L C9L C8L 124.3(9) C4L C9L H9L 117.8 C8L C9L H9L 117.8 C10L O3L H3OL 110(4) O4L C10L O3L 123.3(4) O4L C10L C11L 124.5(4) O3L C10L C11L 112.1(4) C13L C11L C12L 113.2(4) C13L C11L C10L 109.7(3) C12L C11L C10L 110.8(4) C13L C11L H11L 107.7 C12L C11L H11L 107.7 C10L C11L H11L 107.7 C11L C12L H12G 109.5 C11L C12L H12H 109.5 H12G C12L H12H 109.5 C11L C12L H12I 109.5 H12G C12L H12I 109.5 H12H C12L H12I 109.5 C18L C13L C14L 118.5(5) C18L C13L C11L 120.4(5) C14L C13L C11L 121.1(4) C15L C14L C13L 120.6(5) C15L C14L H14L 119.7 C13L C14L H14L 119.7 C16L C15L C14L 120.9(6) C16L C15L H15L 119.6 C14L C15L H15L 119.6 C15L C16L C17L 119.8(5) C15L C16L H16L 120.1 C17L C16L H16L 120.1 C16L C17L C18L 120.5(5) C16L C17L H17L 119.8 C18L C17L H17L 119.8 C13L C18L C17L 119.8(5) C13L C18L H18L 120.1 C17L C18L H18L 120.1 C19L O5L H5OL 117(7) O6L C19L O5L 122.5(6) O6L C19L C20L 126.4(6) O5L C19L C20L 111.0(6) C19L C20L C22L 105.8(7) C19L C20L C21L 109.3(6) C22L C20L C21L 116.0(8) C19L C20L H20L 108.5 C22L C20L H20L 108.5 C21L C20L H20L 108.5 C20L C21L H21G 109.5 C20L C21L H21H 109.5 H21G C21L H21H 109.5 C20L C21L H21I 109.5 H21G C21L H21I 109.5 H21H C21L H21I 109.5 C23L C22L C27L 120.0 C23L C22L C20L 121.1(5) C27L C22L C20L 118.9(5) C22L C23L C24L 120.0 C22L C23L H23L 120.0 C24L C23L H23L 120.0 C23L C24L C25L 120.0 C23L C24L H24L 120.0 C25L C24L H24L 120.0 C26L C25L C24L 120.0 C26L C25L H25L 120.0 C24L C25L H25L 120.0 C25L C26L C27L 120.0 C25L C26L H26L 120.0 C27L C26L H26L 120.0 C26L C27L C22L 120.0 C26L C27L H27L 120.0 C22L C27L H27L 120.0 C19K O5K H5OK 112(10) O6K C19K O5K 123.3(14) O6K C19K C20K 126.6(16) O5K C19K C20K 110.1(15) C22K C20K C21K 109(2) C22K C20K C19K 108.5(15) C21K C20K C19K 110.4(15) C22K C20K H20K 109.7 C21K C20K H20K 109.7 C19K C20K H20K 109.7 C20K C21K H21J 109.5 C20K C21K H21K 109.5 H21J C21K H21K 109.5 C20K C21K H21L 109.5 H21J C21K H21L 109.5 H21K C21K H21L 109.5 C23K C22K C27K 120.0 C23K C22K C20K 125.8(18) C27K C22K C20K 113.9(18) C22K C23K C24K 120.0 C22K C23K H23K 120.0 C24K C23K H23K 120.0 C25K C24K C23K 120.0 C25K C24K H24K 120.0 C23K C24K H24K 120.0 C26K C25K C24K 120.0 C26K C25K H25K 120.0 C24K C25K H25K 120.0 C25K C26K C27K 120.0 C25K C26K H26K 120.0 C27K C26K H26K 120.0 C26K C27K C22K 120.0 C26K C27K H27K 120.0 C22K C27K H27K 120.0 C28L O7L H7OL 113(4) O8L C28L O7L 124.2(4) O8L C28L C29L 125.2(4) O7L C28L C29L 110.6(4) C31L C29L C30L 114.1(4) C31L C29L C28L 106.9(4) C30L C29L C28L 111.3(4) C31L C29L H29L 108.1 C30L C29L H29L 108.1 C28L C29L H29L 108.1 C29L C30L H30G 109.5 C29L C30L H30H 109.5 H30G C30L H30H 109.5 C29L C30L H30I 109.5 H30G C30L H30I 109.5 H30H C30L H30I 109.5 C36L C31L C32L 118.0(4) C36L C31L C29L 122.7(4) C32L C31L C29L 119.1(4) C33L C32L C31L 120.9(4) C33L C32L H32L 119.6 C31L C32L H32L 119.6 C34L C33L C32L 120.2(5) C34L C33L H33L 119.9 C32L C33L H33L 119.9 C35L C34L C33L 119.4(5) C35L C34L H34L 120.3 C33L C34L H34L 120.3 C34L C35L C36L 120.9(4) C34L C35L H35L 119.5 C36L C35L H35L 119.5 C35L C36L C31L 120.6(4) C35L C36L H36L 119.7 C31L C36L H36L 119.7 C37L O9L H9OL 118(5) O10L C37L O9L 122.8(5) O10L C37L C38L 124.5(5) O9L C37L C38L 112.7(5) C40L C38L C37L 112.6(4) C40L C38L C39L 110.9(4) C37L C38L C39L 110.7(5) C40L C38L H38L 107.5 C37L C38L H38L 107.5 C39L C38L H38L 107.5 C38L C39L H39G 109.5 C38L C39L H39H 109.5 H39G C39L H39H 109.5 C38L C39L H39I 109.5 H39G C39L H39I 109.5 H39H C39L H39I 109.5 C41L C40L C45L 118.8(5) C41L C40L C38L 120.3(5) C45L C40L C38L 120.7(5) C40L C41L C42L 120.6(5) C40L C41L H41L 119.7 C42L C41L H41L 119.7 C43L C42L C41L 119.7(6) C43L C42L H42L 120.2 C41L C42L H42L 120.2 C44L C43L C42L 120.4(5) C44L C43L H43L 119.8 C42L C43L H43L 119.8 C43L C44L C45L 120.5(5) C43L C44L H44L 119.8 C45L C44L H44L 119.8 C40L C45L C44L 120.0(5) C40L C45L H45L 120.0 C44L C45L H45L 120.0 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance Eu1A O1A 2.361(3) Eu1A O7A 2.382(3) Eu1A O5A 2.388(3) Eu1A O10A 2.462(3) Eu1A O4A 2.466(3) Eu1A O9A 2.479(3) Eu1A N1A 2.604(3) Eu1A O3A 2.606(3) Eu1A N2A 2.630(3) Eu1A C37A 2.818(4) Eu1A C10A 2.900(4) Eu1A Eu2A 3.9705(3) Eu2A O6A 2.343(3) Eu2A O3A 2.352(2) Eu2A O2A 2.369(3) Eu2A O8A 2.401(3) Eu2A O12A 2.476(3) Eu2A O11A 2.500(3) Eu2A N4A 2.576(3) Eu2A N3A 2.598(3) Eu2A O7A 2.821(3) Eu2A C46A 2.848(4) Eu2A C28A 2.967(4) O1A C1A 1.259(5) O2A C1A 1.255(5) O3A C10A 1.270(5) O4A C10A 1.258(4) O5A C19A 1.256(4) O6A C19A 1.255(5) O7A C28A 1.271(5) O8A C28A 1.252(5) O9A C37A 1.267(5) O10A C37A 1.255(6) O11A C46A 1.268(5) O12A C46A 1.248(5) N1A C55A 1.331(5) N1A C59A 1.363(5) N2A C66A 1.327(5) N2A C60A 1.345(5) N3A C67A 1.320(6) N3A C71A 1.364(5) N4A C78A 1.336(5) N4A C72A 1.361(5) C1A C2A 1.527(6) C2A C4A 1.513(6) C2A C3A 1.535(7) C2A H2A 1.0000 C3A H3AA 0.9800 C3A H3AB 0.9800 C3A H3AC 0.9800 C4A C5A 1.379(7) C4A C9A 1.395(8) C5A C6A 1.438(9) C5A H5A 0.9500 C6A C7A 1.353(11) C6A H6A 0.9500 C7A C8A 1.347(10) C7A H7A 0.9500 C8A C9A 1.376(8) C8A H8A 0.9500 C9A H9A 0.9500 C10A C11A 1.521(5) C11A C13A 1.524(5) C11A C12A 1.531(6) C11A H11A 1.0000 C12A H12A 0.9800 C12A H12B 0.9800 C12A H12C 0.9800 C13A C14A 1.376(6) C13A C18A 1.397(6) C14A C15A 1.399(6) C14A H14A 0.9500 C15A C16A 1.381(7) C15A H15A 0.9500 C16A C17A 1.379(7) C16A H16A 0.9500 C17A C18A 1.382(7) C17A H17A 0.9500 C18A H18A 0.9500 C19A C20A 1.532(6) C20A C22A 1.432(7) C20A C21A 1.525(6) C20A C22C 1.808(11) C20A H20A 1.0000 C21A H21A 0.9800 C21A H21B 0.9800 C21A H21C 0.9800 C22A C23A 1.382(9) C22A C27A 1.403(8) C23A C24A 1.382(9) C23A H23A 0.9500 C24A C25A 1.375(11) C24A H24A 0.9500 C25A C26A 1.366(12) C25A H25A 0.9500 C26A C27A 1.388(9) C26A H26A 0.9500 C27A H27A 0.9500 C22C C23C 1.3900 C22C C27C 1.3900 C23C C24C 1.3900 C23C H23C 0.9500 C24C C25C 1.3900 C24C H24C 0.9500 C25C C26C 1.3900 C25C H25C 0.9500 C26C C27C 1.3900 C26C H26C 0.9500 C27C H27C 0.9500 C28A C29A 1.536(5) C29A C31A 1.518(6) C29A C30A 1.531(5) C29A H29A 1.0000 C30A H30A 0.9800 C30A H30B 0.9800 C30A H30C 0.9800 C31A C32A 1.387(6) C31A C36A 1.398(6) C32A C33A 1.376(7) C32A H32A 0.9500 C33A C34A 1.387(8) C33A H33A 0.9500 C34A C35A 1.388(8) C34A H34A 0.9500 C35A C36A 1.386(7) C35A H35A 0.9500 C36A H36A 0.9500 C37A C38A 1.536(6) C38A C39A 1.519(7) C38A C40A 1.531(6) C38A H38A 1.0000 C39A H39A 0.9800 C39A H39B 0.9800 C39A H39C 0.9800 C40A C45A 1.380(6) C40A C41A 1.392(6) C41A C42A 1.409(6) C41A H41A 0.9500 C42A C43A 1.377(8) C42A H42A 0.9500 C43A C44A 1.362(8) C43A H43A 0.9500 C44A C45A 1.395(7) C44A H44A 0.9500 C45A H45A 0.9500 C46A C47A 1.528(5) C47A C48A 1.522(7) C47A C49A 1.530(6) C47A H47A 1.0000 C48A H48A 0.9800 C48A H48B 0.9800 C48A H48C 0.9800 C49A C50A 1.378(6) C49A C54A 1.384(6) C50A C51A 1.393(7) C50A H50A 0.9500 C51A C52A 1.362(8) C51A H51A 0.9500 C52A C53A 1.378(7) C52A H52A 0.9500 C53A C54A 1.390(6) C53A H53A 0.9500 C54A H54A 0.9500 C55A C56A 1.404(5) C55A H55A 0.9500 C56A C57A 1.372(6) C56A H56A 0.9500 C57A C58A 1.400(5) C57A H57A 0.9500 C58A C59A 1.407(5) C58A C61A 1.442(5) C59A C60A 1.443(5) C60A C63A 1.419(5) C61A C62A 1.342(6) C61A H61A 0.9500 C62A C63A 1.434(5) C62A H62A 0.9500 C63A C64A 1.394(6) C64A C65A 1.363(6) C64A H64A 0.9500 C65A C66A 1.401(6) C65A H65A 0.9500 C66A H66A 0.9500 C67A C68A 1.401(6) C67A H67A 0.9500 C68A C69A 1.368(7) C68A H68A 0.9500 C69A C70A 1.401(7) C69A H69A 0.9500 C70A C71A 1.421(5) C70A C73A 1.430(6) C71A C72A 1.432(6) C72A C75A 1.412(5) C73A C74A 1.350(7) C73A H73A 0.9500 C74A C75A 1.433(6) C74A H74A 0.9500 C75A C76A 1.412(6) C76A C77A 1.368(6) C76A H76A 0.9500 C77A C78A 1.398(5) C77A H77A 0.9500 C78A H78A 0.9500 Eu1B O1B 2.352(3) Eu1B O5B 2.357(3) Eu1B O7B 2.378(3) Eu1B O9B 2.470(3) Eu1B O4B 2.510(3) Eu1B O10B 2.525(3) Eu1B O3B 2.564(2) Eu1B N2B 2.612(3) Eu1B N1B 2.622(3) Eu1B C37B 2.860(4) Eu1B C10B 2.918(4) Eu1B Eu2B 3.9076(3) Eu2B O3B 2.337(2) Eu2B O2B 2.370(3) Eu2B O6B 2.391(3) Eu2B O8B 2.437(3) Eu2B O11B 2.480(3) Eu2B O12B 2.545(3) Eu2B O7B 2.565(3) Eu2B N3B 2.593(3) Eu2B N4B 2.606(3) Eu2B C28B 2.869(4) Eu2B C46B 2.876(4) O1B C1B 1.258(5) O2B C1B 1.255(5) O3B C10B 1.283(4) O4B C10B 1.250(4) O5B C19B 1.256(4) O6B C19B 1.262(5) O7B C28B 1.274(5) O8B C28B 1.253(4) O10B C37B 1.268(5) O9B C37B 1.253(5) O11B C46B 1.282(5) O12B C46B 1.249(5) N1B C55B 1.319(6) N1B C59B 1.378(5) N2B C66B 1.331(6) N2B C60B 1.362(5) N3B C67B 1.325(5) N3B C71B 1.365(5) N4B C78B 1.332(5) N4B C72B 1.359(5) C1B C2B 1.538(6) C2B C4B 1.515(6) C2B C3B 1.543(6) C2B H2B 1.0000 C3B H3BA 0.9800 C3B H3BB 0.9800 C3B H3BC 0.9800 C4B C5B 1.383(6) C4B C9B 1.395(7) C5B C6B 1.399(6) C5B H5B 0.9500 C6B C7B 1.379(8) C6B H6B 0.9500 C7B C8B 1.386(9) C7B H7B 0.9500 C8B C9B 1.387(8) C8B H8B 0.9500 C9B H9B 0.9500 C10B C11B 1.527(5) C11B C13B 1.524(5) C11B C12B 1.529(5) C11B H11B 1.0000 C12B H12D 0.9800 C12B H12E 0.9800 C12B H12F 0.9800 C13B C14B 1.392(5) C13B C18B 1.392(5) C14B C15B 1.378(6) C14B H14B 0.9500 C15B C16B 1.394(6) C15B H15B 0.9500 C16B C17B 1.380(7) C16B H16B 0.9500 C17B C18B 1.385(6) C17B H17B 0.9500 C18B H18B 0.9500 C19B C20B 1.539(6) C20B C22B 1.518(5) C20B C21B 1.539(5) C20B H20B 1.0000 C21B H21D 0.9800 C21B H21E 0.9800 C21B H21F 0.9800 C22B C27B 1.382(6) C22B C23B 1.388(6) C23B C24B 1.398(7) C23B H23B 0.9500 C24B C25B 1.371(8) C24B H24B 0.9500 C25B C26B 1.367(8) C25B H25B 0.9500 C26B C27B 1.395(7) C26B H26B 0.9500 C27B H27B 0.9500 C28B C29B 1.517(6) C29B C31B 1.521(6) C29B C30B 1.538(6) C29B H29B 1.0000 C30B H30D 0.9800 C30B H30E 0.9800 C30B H30F 0.9800 C31B C36B 1.384(7) C31B C32B 1.399(6) C32B C33B 1.386(8) C32B H32B 0.9500 C33B C34B 1.385(9) C33B H33B 0.9500 C34B C35B 1.393(8) C34B H34B 0.9500 C35B C36B 1.386(7) C35B H35B 0.9500 C36B H36B 0.9500 C37B C38B 1.535(6) C38B C40D 1.336(15) C38B C39B 1.530(6) C38B C40B 1.595(9) C38B H38B 1.0000 C39B H39D 0.9800 C39B H39E 0.9800 C39B H39F 0.9800 C40B C41B 1.375(10) C40B C45B 1.410(8) C41B C42B 1.400(9) C41B H41B 0.9500 C42B C43B 1.381(10) C42B H42B 0.9500 C43B C44B 1.380(10) C43B H43B 0.9500 C44B C45B 1.378(9) C44B H44B 0.9500 C45B H45B 0.9500 C40D C41D 1.3900 C40D C45D 1.3900 C41D C42D 1.3900 C41D H41D 0.9500 C42D C43D 1.3900 C42D H42D 0.9500 C43D C44D 1.3900 C43D H43D 0.9500 C44D C45D 1.3900 C44D H44D 0.9500 C45D H45D 0.9500 C46B C47B 1.526(5) C47B C48B 1.523(6) C47B C49B 1.532(6) C47B H47B 1.0000 C48B H48D 0.9800 C48B H48E 0.9800 C48B H48F 0.9800 C49B C54B 1.387(6) C49B C50B 1.389(6) C50B C51B 1.394(6) C50B H50B 0.9500 C51B C52B 1.393(8) C51B H51B 0.9500 C52B C53B 1.374(8) C52B H52B 0.9500 C53B C54B 1.377(7) C53B H53B 0.9500 C54B H54B 0.9500 C55B C56B 1.405(6) C55B H55B 0.9500 C56B C57B 1.378(7) C56B H56B 0.9500 C57B C58B 1.397(7) C57B H57B 0.9500 C58B C59B 1.414(5) C58B C61B 1.444(6) C59B C60B 1.429(6) C60B C63B 1.411(6) C61B C62B 1.345(7) C61B H61B 0.9500 C62B C63B 1.438(6) C62B H62B 0.9500 C63B C64B 1.395(7) C64B C65B 1.368(7) C64B H64B 0.9500 C65B C66B 1.407(6) C65B H65B 0.9500 C66B H66B 0.9500 C67B C68B 1.409(6) C67B H67B 0.9500 C68B C69B 1.371(7) C68B H68B 0.9500 C69B C70B 1.396(7) C69B H69B 0.9500 C70B C71B 1.416(5) C70B C73B 1.444(6) C71B C72B 1.438(6) C72B C75B 1.414(5) C73B C74B 1.331(7) C73B H73B 0.9500 C74B C75B 1.440(6) C74B H74B 0.9500 C75B C76B 1.406(7) C76B C77B 1.367(6) C76B H76B 0.9500 C77B C78B 1.403(6) C77B H77B 0.9500 C78B H78B 0.9500 O1L C1L 1.323(6) O1L H1OL 0.817(12) O2L C1L 1.209(6) C1L C2L 1.518(7) C2L C4L 1.498(10) C2L C3L 1.530(7) C2L H2L 1.0000 C3L H3LA 0.9800 C3L H3LB 0.9800 C3L H3LC 0.9800 C4L C9L 1.369(11) C4L C5L 1.395(10) C5L C6L 1.401(16) C5L H5L 0.9500 C6L C7L 1.364(17) C6L H6L 0.9500 C7L C8L 1.383(16) C7L H7L 0.9500 C8L C9L 1.400(12) C8L H8L 0.9500 C9L H9L 0.9500 O3L C10L 1.301(5) O3L H3OL 0.807(12) O4L C10L 1.182(6) C10L C11L 1.528(6) C11L C13L 1.516(6) C11L C12L 1.528(6) C11L H11L 1.0000 C12L H12G 0.9800 C12L H12H 0.9800 C12L H12I 0.9800 C13L C18L 1.380(7) C13L C14L 1.393(7) C14L C15L 1.384(7) C14L H14L 0.9500 C15L C16L 1.359(8) C15L H15L 0.9500 C16L C17L 1.363(9) C16L H16L 0.9500 C17L C18L 1.415(8) C17L H17L 0.9500 C18L H18L 0.9500 O5L C19L 1.330(8) O5L H5OL 0.812(12) O6L C19L 1.198(8) C19L C20L 1.5013(14) C20L C22L 1.525(10) C20L C21L 1.544(12) C20L H20L 1.0000 C21L H21G 0.9800 C21L H21H 0.9800 C21L H21I 0.9800 C22L C23L 1.3900 C22L C27L 1.3900 C23L C24L 1.3900 C23L H23L 0.9500 C24L C25L 1.3900 C24L H24L 0.9500 C25L C26L 1.3900 C25L H25L 0.9500 C26L C27L 1.3900 C26L H26L 0.9500 C27L H27L 0.9500 O5K C19K 1.34(2) O5K H5OK 0.801(14) O6K C19K 1.20(2) C19K C20K 1.56(2) C20K C22K 1.46(3) C20K C21K 1.485(13) C20K H20K 1.0000 C21K H21J 0.9800 C21K H21K 0.9800 C21K H21L 0.9800 C22K C23K 1.3900 C22K C27K 1.3900 C23K C24K 1.3900 C23K H23K 0.9500 C24K C25K 1.3900 C24K H24K 0.9500 C25K C26K 1.3900 C25K H25K 0.9500 C26K C27K 1.3900 C26K H26K 0.9500 C27K H27K 0.9500 O7L C28L 1.319(6) O7L H7OL 0.821(11) O8L C28L 1.200(6) C28L C29L 1.533(7) C29L C31L 1.523(7) C29L C30L 1.527(7) C29L H29L 1.0000 C30L H30G 0.9800 C30L H30H 0.9800 C30L H30I 0.9800 C31L C36L 1.393(6) C31L C32L 1.396(6) C32L C33L 1.388(7) C32L H32L 0.9500 C33L C34L 1.379(7) C33L H33L 0.9500 C34L C35L 1.378(7) C34L H34L 0.9500 C35L C36L 1.380(7) C35L H35L 0.9500 C36L H36L 0.9500 O9L C37L 1.313(7) O9L H9OL 0.845(11) O10L C37L 1.190(6) C37L C38L 1.521(7) C38L C40L 1.516(7) C38L C39L 1.558(8) C38L H38L 1.0000 C39L H39G 0.9800 C39L H39H 0.9800 C39L H39I 0.9800 C40L C41L 1.389(7) C40L C45L 1.392(7) C41L C42L 1.392(8) C41L H41L 0.9500 C42L C43L 1.380(9) C42L H42L 0.9500 C43L C44L 1.364(8) C43L H43L 0.9500 C44L C45L 1.394(7) C44L H44L 0.9500 C45L H45L 0.9500