#------------------------------------------------------------------------------ #$Date: 2021-04-23 04:42:42 +0300 (Fri, 23 Apr 2021) $ #$Revision: 264434 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/70/71/7707171.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_7707171 loop_ _publ_author_name 'Jing, Huiru' 'Dan, Wenyan' 'Zhu, Jiaxing' 'Ling, Yun' 'Jia, Yu' 'Yang, Yongtai' 'Liu, Xiaofeng' 'Chen, Zhenxia' 'Zhou, Yaming' _publ_section_title ; Multimetal lanthanide phosphonocarboxylate frameworks: structure, colour tuning and near-infrared emission ; _journal_name_full 'Dalton Transactions' _journal_paper_doi 10.1039/D1DT01052B _journal_year 2021 _chemical_formula_moiety 'Eu7 (C14 O7 P H7)6 (C3 N H7 O)4 (H2 O)3' _chemical_formula_sum 'C96 H70 Eu7 N4 O49 P6' _chemical_formula_weight 3313.10 _chemical_name_systematic EuPCF _space_group_crystal_system orthorhombic _space_group_IT_number 58 _space_group_name_Hall '-P 2 2n' _space_group_name_H-M_alt 'P n n m' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2018/1 _audit_update_record ; 2021-02-16 deposited with the CCDC. 2021-04-21 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 14.5138(5) _cell_length_b 20.4301(8) _cell_length_c 22.9139(9) _cell_measurement_reflns_used 9984 _cell_measurement_temperature 172(2) _cell_measurement_theta_max 64.16 _cell_measurement_theta_min 3.66 _cell_volume 6794.4(4) _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-2018/1 (Sheldrick, 2018)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _diffrn_ambient_temperature 172(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.971 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type GaK\a _diffrn_radiation_wavelength 1.34139 _diffrn_reflns_av_R_equivalents 0.0502 _diffrn_reflns_av_unetI/netI 0.0355 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.971 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_k_min -26 _diffrn_reflns_limit_l_max 29 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 43814 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.971 _diffrn_reflns_theta_full 53.594 _diffrn_reflns_theta_max 64.363 _diffrn_reflns_theta_min 3.136 _exptl_absorpt_coefficient_mu 17.469 _exptl_absorpt_correction_T_max 0.497 _exptl_absorpt_correction_T_min 0.154 _exptl_absorpt_correction_type multi-scan _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.619 _exptl_crystal_description needle-like _exptl_crystal_F_000 3194 _exptl_crystal_size_max 0.120 _exptl_crystal_size_mid 0.100 _exptl_crystal_size_min 0.040 _refine_diff_density_max 3.384 _refine_diff_density_min -1.199 _refine_diff_density_rms 0.289 _refine_ls_extinction_coef 0.00069(4) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_extinction_method 'SHELXL-2018/1 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.109 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 497 _refine_ls_number_reflns 8611 _refine_ls_number_restraints 601 _refine_ls_restrained_S_all 1.097 _refine_ls_R_factor_all 0.0617 _refine_ls_R_factor_gt 0.0550 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0793P)^2^+51.3069P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.1519 _refine_ls_wR_factor_ref 0.1585 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7710 _reflns_number_total 8611 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d1dt01052b2.cif _cod_data_source_block EuPCF _cod_database_code 7707171 _shelx_shelxl_version_number 2018/1 _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 0.228 _shelx_estimated_absorpt_t_max 0.542 _shelx_res_file ; TITL 1_a.res in Pnnm 1_a_sq.res created by SHELXL-2018/1 at 15:56:41 on 27-Apr-2020 REM Old TITL 1 in Pnnm REM SHELXT solution in Pnnm REM R1 0.232, Rweak 0.009, Alpha 0.075, Orientation as input REM Formula found by SHELXT: C78 Eu6 N21 O36 P8 CELL 1.34139 14.5138 20.4301 22.9139 90.000 90.000 90.000 ZERR 2.000 0.0005 0.0008 0.0009 0.000 0.000 0.000 LATT 1 SYMM -X, -Y, Z SYMM 1/2-X, 1/2+Y, 1/2-Z SYMM 1/2+X, 1/2-Y, 1/2-Z SFAC C Eu N O P H UNIT 192 14 8 98 12 140 LIST 4 ! automatically inserted. Change 6 to 4 for CHECKCIF!! TEMP -101.130 L.S. 50 0 95 BOND $H ACTA SIMU 0.01 0.02 2 SADI_DMF 0.02 N1 C2 N1 C3 SADI_DMF 0.02 N1 C1 SADI_DMF 0.02 C1 O1 SADI_DMF 0.04 C2 C3 SADI_DMF 0.04 C1 C3 SADI_DMF 0.04 C1 C2 FLAT_DMF C1 > C3 SIMU_DMF C1 > C3 RIGU_DMF C1 > C3 SAME_DMF C1 > C3 ISOR_DMF 0.005 O1 isor 0.005 O3wa EADP Eu3 Eu3a sadi 0.01 Eu1 O1_3 Eu1 O1_4 SIMU 0.04 0.08 1 SADI Eu3a O3wa Eu3 O3ws ISOR 0.01 o1wa EADP o1wa o1w FMAP 2 PLAN 80 conf size 0.04 0.10 0.12 ABIN WGHT 0.079300 51.306900 EXTI 0.000694 FVAR 0.12501 0.60725 0.69718 0.63596 0.58708 EU1 2 0.407216 0.619965 0.647141 11.00000 0.01447 0.01486 = 0.03854 -0.00166 -0.00260 0.00197 EU2 2 0.000000 1.000000 0.274923 10.50000 0.02185 0.01797 = 0.02932 0.00000 0.00000 0.00478 PART -1 40.25 AFIX 1 EU3 2 0.682992 0.454787 0.500000 40.25000 0.02510 0.01278 = 0.02195 0.00000 0.00000 -0.00078 AFIX 0 O1W 4 10.704226 10.571747 10.500000 40.25000 0.11532 0.03520 = 0.01681 0.00000 0.00000 -0.01316 O2WS 4 10.824800 10.429399 10.558208 40.25000 0.01060 0.03160 = 0.01621 0.01143 -0.00436 0.00485 O3WS 4 10.517200 10.481500 10.500000 40.25000 0.03231 0.04365 = 0.02652 0.00000 0.00000 0.00703 PART -2 -40.25 EU3A 2 10.632242 10.461739 10.500000 -40.25000 0.02510 0.01278 = 0.02195 0.00000 0.00000 -0.00078 O1WA 4 10.666574 10.595487 10.500000 -40.25000 0.11532 0.03520 = 0.01681 0.00000 0.00000 -0.01316 O2WA 4 10.469398 10.434913 10.500000 -40.25000 0.03295 0.01276 = 0.02285 0.00000 0.00000 0.01219 O3WA 4 10.795609 10.450395 10.500000 -40.25000 0.03631 0.02499 = 0.01534 0.00159 -0.00050 -0.01034 PART 0 RESI 1 P1 5 0.624861 0.531675 0.640840 11.00000 0.01243 0.01294 = 0.03751 0.00150 0.00319 0.00027 SAME_1 C1 C2a C3a C4 C5a C6a AFIX 66 C1 1 0.730317 0.577274 0.653625 11.00000 0.01317 0.02046 = 0.04674 -0.00145 0.00169 -0.00387 PART 1 51.00 C2 1 0.812221 0.545154 0.666601 51.00000 0.02150 0.02123 = 0.06602 -0.00010 -0.00541 -0.00046 AFIX 43 H2 6 0.813965 0.498686 0.667657 51.00000 -1.20000 AFIX 65 C3 1 0.891573 0.581025 0.678034 51.00000 0.02036 0.01934 = 0.06770 0.00156 -0.00728 0.00134 AFIX 43 H3 6 0.947550 0.559073 0.686903 51.00000 -1.20000 AFIX 65 PART 0 C4 1 0.889022 0.649015 0.676489 11.00000 0.01883 0.02213 = 0.05825 -0.00749 0.00017 -0.00198 PART 1 51.00 C5 1 0.807119 0.681135 0.663513 51.00000 0.01817 0.01792 = 0.06012 0.00172 0.00243 -0.00359 AFIX 43 H5 6 0.805376 0.727604 0.662458 51.00000 -1.20000 AFIX 65 C6 1 0.727767 0.645266 0.652081 51.00000 0.01640 0.02075 = 0.05786 0.00224 0.00029 -0.00055 AFIX 43 H6 6 0.671790 0.667218 0.643212 51.00000 -1.20000 AFIX 0 PART 0 PART 2 -51.00 C2A 1 0.815135 0.552386 0.638861 -51.00000 0.02223 0.02444 = 0.06452 -0.00962 -0.00242 -0.00081 AFIX 43 H2A 6 0.818993 0.510287 0.621426 -51.00000 -1.20000 AFIX 0 C3A 1 0.895640 0.587855 0.649025 -51.00000 0.02498 0.02561 = 0.06968 -0.00564 -0.00286 0.00211 AFIX 43 H3A 6 0.953848 0.570912 0.637565 -51.00000 -1.20000 AFIX 0 C5A 1 0.804051 0.674413 0.689527 -51.00000 0.01982 0.02256 = 0.06035 -0.00605 0.00570 -0.00094 AFIX 43 H5A 6 0.799254 0.715771 0.708231 -51.00000 -1.20000 AFIX 0 C6A 1 0.725401 0.639751 0.675415 -51.00000 0.01492 0.02565 = 0.05701 -0.00411 0.00622 -0.00228 AFIX 43 H6A 6 0.666807 0.659542 0.680900 -51.00000 -1.20000 AFIX 0 PART 0 O1 4 0.640745 0.479647 0.594150 11.00000 0.02456 0.01511 = 0.03663 -0.00141 0.00316 -0.00302 O2 4 0.602985 0.492360 0.696478 11.00000 0.01391 0.02114 = 0.04051 0.00034 0.00139 -0.00225 O3 4 0.551031 0.580802 0.624628 11.00000 0.01904 0.01515 = 0.05183 0.00614 0.00026 0.00415 O4 4 1.240908 0.610404 0.664502 11.00000 0.01925 0.02146 = 0.09098 -0.01420 0.00751 -0.00051 O5 4 1.305658 0.703307 0.688556 11.00000 0.01871 0.02286 = 0.06783 -0.01446 -0.00465 0.00091 O6 4 1.096421 0.902260 0.704360 11.00000 0.02850 0.02262 = 0.05418 -0.00119 0.00926 0.00047 O7 4 0.972462 0.882712 0.756156 11.00000 0.02571 0.02002 = 0.04230 -0.00772 0.00828 0.00209 C8 1 1.062625 0.661409 0.680559 11.00000 0.02035 0.01592 = 0.05903 -0.01251 0.00068 0.00059 AFIX 43 H8 6 1.068752 0.616706 0.669825 11.00000 -1.20000 AFIX 0 C9 1 1.141695 0.699526 0.688551 11.00000 0.01529 0.01893 = 0.05366 -0.00716 0.00145 0.00056 C10 1 1.134957 0.764342 0.702931 11.00000 0.01906 0.01705 = 0.04584 -0.00815 0.00085 -0.00207 AFIX 43 H10 6 1.188780 0.790424 0.706916 11.00000 -1.20000 AFIX 0 C11 1 1.048301 0.791452 0.711618 11.00000 0.02075 0.01493 = 0.04174 -0.00763 0.00259 0.00208 C12 1 0.969562 0.754058 0.706180 11.00000 0.01551 0.01970 = 0.04803 -0.01143 0.00491 -0.00265 AFIX 43 H12 6 0.911258 0.772919 0.714682 11.00000 -1.20000 AFIX 0 C13 1 1.235616 0.669147 0.680684 11.00000 0.01466 0.02086 = 0.05695 -0.00741 0.00094 0.00218 C14 1 1.040422 0.862562 0.725249 11.00000 0.01876 0.01741 = 0.03651 -0.00612 0.00052 0.00221 C7 1 0.974714 0.688086 0.688123 11.00000 0.01531 0.01817 = 0.05452 -0.01156 0.00146 -0.00341 RESI 0 SADI_2 C10 O4 C10 O4a RESI 2 P1 5 0.368890 0.696258 0.500000 10.50000 0.03877 0.02936 = 0.04211 0.00000 0.00000 0.00339 SAME_2 C6 C1 C2 C3 C4 C5 C1 1 0.267401 0.747794 0.500000 10.50000 0.04819 0.05017 = 0.04196 0.00000 0.00000 0.01157 PART -1 10.5 C2 1 0.200410 0.742822 0.455953 10.50000 0.06459 0.07434 = 0.05323 -0.00961 -0.00617 0.01793 AFIX 43 H2 6 0.207440 0.711055 0.426006 10.50000 -1.20000 AFIX 0 C3 1 0.123424 0.784114 0.455660 10.50000 0.06710 0.07533 = 0.05343 -0.00506 -0.00513 0.02210 AFIX 43 H3 6 0.078978 0.780567 0.425390 10.50000 -1.20000 AFIX 0 PART 0 C4 1 0.111854 0.830700 0.500000 10.50000 0.05882 0.06779 = 0.04925 0.00000 0.00000 0.02554 PART -1 10.5 C5 1 0.172015 0.830050 0.548193 10.50000 0.04760 0.06048 = 0.04047 -0.00660 -0.00599 0.02168 AFIX 43 H5 6 0.160321 0.857934 0.580534 10.50000 -1.20000 AFIX 0 C6 1 0.249330 0.788468 0.548898 10.50000 0.04599 0.05019 = 0.03805 -0.00968 -0.00503 0.01786 AFIX 43 H6 6 0.289085 0.787633 0.581826 10.50000 -1.20000 AFIX 0 PART 0 O2 4 0.452104 0.740655 0.500000 10.50000 0.05558 0.04903 = 0.08784 0.00000 0.00000 -0.00788 O3 4 -0.090487 0.954865 0.345888 11.00000 0.06206 0.05806 = 0.05387 0.02528 0.02501 0.01891 PART 1 21.00 O4 4 -0.226748 0.955283 0.391192 21.00000 0.04539 0.12196 = 0.06349 0.02143 -0.00071 0.01604 PART 2 -21.00 O4A 4 -0.195236 1.002057 0.401357 -21.00000 0.07067 0.09436 = 0.06584 0.03069 0.01142 0.04586 PART 0 C7 1 0.029298 0.874444 0.500000 10.50000 0.05020 0.06586 = 0.04179 0.00000 0.00000 0.02564 C8 1 -0.010375 0.895070 0.447502 11.00000 0.05650 0.06984 = 0.04362 0.00821 0.00754 0.01780 AFIX 43 H8 6 0.017568 0.883574 0.411439 11.00000 -1.20000 AFIX 0 C9 1 -0.091852 0.932939 0.447878 11.00000 0.04865 0.07088 = 0.04917 0.01735 0.00242 0.01476 C11 1 -0.132435 0.950619 0.500000 10.50000 0.04512 0.06160 = 0.04663 0.00000 0.00000 0.01083 AFIX 43 H11 6 -0.188235 0.974926 0.499999 10.50000 -1.20000 AFIX 0 C10 1 -0.135373 0.954050 0.391652 11.00000 0.05649 0.08946 = 0.05768 0.02847 0.01529 0.02891 O1 4 0.366204 0.652886 0.553349 11.00000 0.04814 0.04561 = 0.04030 0.00281 0.00034 0.01158 RESI 0 RESI DMF 3 PART 1 31.00 C1 1 0.484391 0.774442 0.648592 31.00000 0.07383 0.04575 = 0.09708 0.00387 0.00003 0.00002 AFIX 43 H1 6 0.420601 0.784065 0.652162 31.00000 -1.20000 AFIX 0 O1 4 0.497747 0.718399 0.645227 31.00000 0.04086 0.03158 = 0.05978 0.00278 0.00520 -0.00265 N1 3 0.534138 0.827033 0.648720 31.00000 0.10522 0.06042 = 0.13563 0.00910 0.00986 -0.01372 C2 1 0.625807 0.817873 0.646459 31.00000 0.10288 0.09671 = 0.15526 0.02552 -0.00103 -0.01943 AFIX 33 H2A 6 0.656995 0.860416 0.646764 31.00000 -1.50000 H2B 6 0.645560 0.792230 0.680369 31.00000 -1.50000 H2C 6 0.641680 0.794295 0.610596 31.00000 -1.50000 AFIX 0 C3 1 0.514022 0.890448 0.662277 31.00000 0.15542 0.07748 = 0.18314 -0.00881 0.00770 -0.00150 AFIX 33 H3A 6 0.569290 0.917450 0.657369 31.00000 -1.50000 H3B 6 0.465288 0.906454 0.636342 31.00000 -1.50000 H3C 6 0.493033 0.893006 0.702864 31.00000 -1.50000 AFIX 0 RESI 0 RESI DMF 4 PART 2 -31.00 C1 1 0.549601 0.741512 0.605157 -31.00000 0.06824 0.05593 = 0.08996 0.00154 0.00828 -0.00649 AFIX 43 H1 6 0.580545 0.707828 0.584354 -31.00000 -1.20000 AFIX 0 O1 4 0.491094 0.719812 0.632635 -31.00000 0.05636 0.04431 = 0.06914 -0.00076 0.00284 -0.00154 N1 3 0.586432 0.797612 0.593752 -31.00000 0.09937 0.07032 = 0.12681 0.00939 0.01212 -0.02008 C2 1 0.652888 0.799185 0.551963 -31.00000 0.10967 0.10101 = 0.14180 0.01711 0.02438 -0.01870 AFIX 33 H2A 6 0.675268 0.844145 0.547347 -31.00000 -1.50000 H2B 6 0.704104 0.770755 0.563549 -31.00000 -1.50000 H2C 6 0.627196 0.783789 0.514870 -31.00000 -1.50000 AFIX 0 C3 1 0.560355 0.859215 0.609368 -31.00000 0.12364 0.07658 = 0.15281 0.00366 0.00757 -0.01135 AFIX 33 H3A 6 0.604059 0.890996 0.593246 -31.00000 -1.50000 H3B 6 0.498577 0.868198 0.594076 -31.00000 -1.50000 H3C 6 0.559668 0.862773 0.652016 -31.00000 -1.50000 RESI 0 AFIX 0 HKLF 4 REM 1_a.res in Pnnm REM R1 = 0.0550 for 7710 Fo > 4sig(Fo) and 0.0617 for all 8611 data REM 497 parameters refined using 601 restraints END WGHT 0.0746 55.4788 REM Highest difference peak 3.384, deepest hole -1.199, 1-sigma level 0.289 Q1 1 0.0000 1.0000 0.3081 10.50000 0.05 2.35 Q2 1 0.5973 0.4548 0.5000 10.50000 0.05 2.27 Q3 1 0.7536 0.4653 0.5000 10.50000 0.05 2.27 Q4 1 0.7839 0.5462 0.5000 10.50000 0.05 2.01 Q5 1 0.4071 0.6663 0.6426 11.00000 0.05 1.54 Q6 1 0.8303 0.4233 0.5000 10.50000 0.05 1.46 Q7 1 0.4026 0.6163 0.6803 11.00000 0.05 1.45 Q8 1 0.5930 0.6012 0.5000 10.50000 0.05 1.45 Q9 1 0.4024 0.6187 0.6117 11.00000 0.05 1.45 Q10 1 -0.0008 1.0472 0.2788 11.00000 0.05 1.31 Q11 1 0.5202 0.9308 0.6217 11.00000 0.05 1.18 Q12 1 0.5117 0.9724 0.6525 11.00000 0.05 1.17 Q13 1 0.5000 0.5000 0.5000 10.25000 0.05 1.15 Q14 1 -0.1693 0.9900 0.2832 11.00000 0.05 1.14 Q15 1 0.4070 0.5705 0.6402 11.00000 0.05 1.14 Q16 1 0.5684 0.9311 0.7067 11.00000 0.05 1.10 Q17 1 0.4990 0.8116 0.5973 11.00000 0.05 1.09 Q18 1 0.5037 0.9486 0.6477 11.00000 0.05 1.08 Q19 1 0.5394 0.9411 0.6762 11.00000 0.05 1.06 Q20 1 1.0016 0.7714 0.7086 11.00000 0.05 1.02 Q21 1 0.6699 0.7569 0.5000 10.50000 0.05 0.94 Q22 1 0.6792 0.6221 0.5000 10.50000 0.05 0.92 Q23 1 0.9310 0.5656 0.7391 11.00000 0.05 0.89 Q24 1 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8.40 1.70 8 9 -5 82.09 11.60 8 -9 5 53.99 4.00 -8 -9 -5 60.69 4.80 -8 9 5 49.50 6.90 8 -9 5 68.19 5.70 -8 9 5 55.29 3.80 -8 -9 5 54.19 5.20 -8 -9 5 57.29 4.00 8 9 5 60.59 14.00 -8 -9 5 59.79 4.50 8 -9 -5 57.09 8.20 -9 -9 -5 3.30 2.50 9 9 -5 10.60 7.10 9 -9 5 1.40 1.40 -9 9 5 2.00 1.50 9 -9 5 4.70 2.40 -9 -9 5 4.00 1.60 9 9 5 5.60 6.90 9 -9 -5 4.40 3.90 -9 -9 5 2.50 1.50 -9 -9 5 0.80 2.10 -10 9 5 90.39 5.60 10 -9 5 88.49 7.60 -10 -9 -5 95.99 6.80 10 -9 -5 84.09 10.40 -10 -9 5 83.49 5.50 10 9 5 79.39 17.50 -10 -9 5 92.99 6.50 -11 -9 -5 8.50 3.10 -11 9 5 5.30 2.20 11 -9 -5 8.50 5.10 11 9 5 17.00 10.10 -11 -9 5 6.40 2.00 -11 -9 5 5.20 3.00 12 9 -5 101.79 11.90 -12 9 5 93.89 6.20 -12 -9 -5 106.29 7.70 -12 -9 5 84.49 6.10 12 9 5 85.19 20.80 -12 -9 5 89.49 7.30 12 -9 -5 99.09 12.00 -13 -9 -5 3.90 3.40 -13 9 5 2.20 2.40 13 9 5 -1.70 14.00 -13 -9 5 4.00 3.50 -13 -9 5 2.10 2.10 -14 -9 -5 54.29 6.50 -14 9 5 55.19 5.00 -14 -9 5 47.80 6.40 -14 -9 5 57.59 4.90 -14 9 -5 52.69 5.60 -15 -9 -5 14.20 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5 14.10 2.30 -10 -10 -5 9.40 4.10 10 -10 -5 9.60 6.40 -10 -10 5 11.80 2.10 -10 -10 5 10.30 3.00 10 10 5 4.60 9.10 -11 -10 -5 107.69 8.30 -11 10 5 117.49 6.70 11 -10 -5 112.19 12.70 11 10 5 72.59 19.60 -11 -10 5 106.69 7.70 -12 -10 -5 3.50 3.40 12 10 5 17.50 12.50 12 -10 -5 30.30 7.70 -13 10 5 101.69 6.70 -13 -10 -5 105.49 8.40 -13 -10 5 103.29 6.50 -13 -10 5 101.59 8.10 -14 10 5 26.00 3.90 -14 -10 -5 25.40 4.50 -14 10 -5 20.30 3.40 -14 -10 5 22.30 4.30 -15 10 5 27.80 3.90 -15 -10 -5 18.50 4.20 -15 10 -5 24.60 4.50 -15 -10 5 24.40 4.50 -16 -10 -5 3.30 2.90 -16 10 5 7.00 2.20 -16 -10 5 10.40 5.20 -16 10 -5 6.40 3.10 -17 10 5 31.70 3.60 -17 -10 5 35.10 4.90 -17 10 -5 29.20 3.80 0 -11 5 134.49 7.40 0 -11 5 131.49 7.10 0 -11 -5 137.59 7.20 0 -11 -5 158.38 13.90 0 11 5 152.58 15.50 0 -11 5 138.09 7.60 -1 -11 -5 68.19 4.10 1 -11 5 62.99 4.30 -1 11 5 70.49 11.10 1 -11 -5 73.79 4.00 -1 -11 5 75.39 4.50 1 11 5 66.89 11.40 1 -11 -5 70.49 9.80 -2 11 5 36.20 8.60 2 -11 5 35.60 3.00 -2 -11 -5 34.50 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3.40 7.40 7 -11 -5 4.40 4.50 -7 -11 5 7.50 2.00 -8 11 5 16.90 2.20 8 -11 5 15.60 2.50 8 11 -5 24.10 8.70 -8 -11 -5 17.20 3.30 8 -11 -5 17.20 5.60 -8 -11 5 15.80 2.70 8 11 5 11.40 9.60 -8 -11 5 18.70 2.90 -9 -11 -5 17.10 3.40 -9 11 5 18.40 2.60 9 11 -5 21.30 10.50 9 -11 5 15.00 2.10 9 11 5 12.60 9.80 -9 -11 5 17.80 3.20 -9 -11 5 21.60 3.10 9 -11 -5 11.10 6.00 -10 -11 -5 87.09 7.40 -10 11 5 92.59 5.60 -10 -11 5 93.69 6.90 -10 -11 5 91.69 5.50 10 11 5 73.19 18.40 10 -11 -5 72.49 11.00 -11 11 5 47.50 4.10 -11 -11 -5 31.60 5.00 11 11 5 41.80 15.30 -11 -11 5 46.10 5.50 -11 -11 5 55.29 3.80 -12 -11 -5 70.69 8.10 -12 11 5 90.69 6.20 12 11 -5 124.49 11.20 -12 -11 5 92.29 7.50 -12 -11 5 107.09 6.30 12 11 5 44.10 21.80 -13 11 -5 -0.60 4.40 -13 -11 5 2.40 4.40 -14 -11 -5 29.10 5.00 -14 11 5 42.40 4.20 -14 -11 5 28.90 4.40 -14 11 -5 33.50 4.60 -15 11 5 18.80 3.60 -15 -11 -5 7.00 3.50 -15 -11 5 20.30 4.10 -15 11 -5 15.90 3.20 -16 11 5 60.89 4.60 -16 11 -5 63.59 5.00 -16 -11 5 57.99 6.40 -17 11 5 1.60 1.70 -17 11 -5 -1.40 2.00 -17 -11 5 1.50 2.60 0 -12 5 14.80 2.30 0 12 5 7.40 6.20 0 -12 -5 13.60 1.90 0 -12 5 11.90 1.60 0 -12 -5 9.20 5.20 -1 12 5 287.77 23.40 -1 -12 -5 291.37 14.50 1 -12 5 286.17 14.70 1 -12 5 272.87 14.30 1 -12 -5 295.97 14.40 -1 -12 5 295.07 14.80 1 -12 -5 310.37 21.50 -1 -12 5 278.27 14.40 1 12 5 298.37 24.50 2 -12 5 5.20 1.10 -2 -12 -5 7.10 1.40 -2 12 5 6.00 5.30 -2 -12 -5 9.80 2.50 2 -12 5 9.70 1.80 -2 -12 5 6.30 1.30 2 12 5 5.20 6.10 2 -12 -5 7.80 5.50 2 -12 -5 7.90 1.20 -2 -12 5 8.20 2.70 -3 12 5 14.60 6.50 3 12 -5 15.50 8.10 3 -12 5 11.00 1.90 -3 -12 -5 8.10 1.60 -3 -12 -5 10.00 2.10 -3 -12 5 12.90 2.00 3 -12 -5 8.80 1.20 -3 -12 5 10.00 1.80 -3 -12 5 9.00 1.60 3 -12 -5 10.00 5.70 3 12 5 10.30 6.80 -4 -12 -5 10.40 2.30 4 12 -5 8.50 8.20 -4 12 5 12.10 6.20 -4 -12 -5 14.30 2.00 4 -12 -5 12.80 6.20 4 -12 -5 7.90 1.20 4 12 5 17.40 8.70 -4 -12 5 12.50 2.00 -4 -12 5 13.20 1.90 5 12 -5 359.46 31.00 5 -12 5 342.97 17.50 5 -12 5 350.36 19.00 -5 12 5 337.67 16.90 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171.88 23.70 -7 -13 7 188.78 10.10 -8 13 7 53.59 3.70 8 -13 7 57.29 4.50 -8 -13 -7 47.40 6.50 8 13 7 36.30 14.30 -8 -13 7 58.09 5.10 8 -13 -7 53.29 11.50 -9 13 7 122.79 6.90 9 -13 7 129.09 7.40 -9 -13 -7 114.39 9.40 9 13 7 112.89 21.80 -9 -13 7 131.99 8.30 -9 -13 7 117.69 7.70 9 -13 -7 121.29 15.00 -10 -13 -7 108.49 10.00 10 13 -7 157.48 11.80 -10 13 7 134.59 7.50 -10 -13 7 107.89 8.00 -10 -13 7 137.49 8.80 10 13 7 162.08 21.30 11 13 7 12.60 14.80 -12 -13 -7 -9.10 3.60 -12 13 7 4.80 2.00 -12 -13 7 3.60 3.20 -13 13 7 31.90 3.60 -13 -13 7 26.50 4.00 -14 13 7 234.58 13.00 -14 13 -7 237.68 12.70 -14 -13 7 221.48 13.30 -15 13 7 7.20 2.00 -15 13 -7 7.90 2.40 -15 -13 7 5.90 2.90 -16 -13 7 198.68 11.50 -16 13 -7 213.88 11.40 0 -14 7 1.90 1.90 0 14 7 -2.80 5.80 0 -14 7 1.10 1.00 -1 -14 -7 9.10 2.30 -1 14 7 9.10 6.70 1 -14 7 9.60 2.30 1 14 7 2.90 7.20 -1 -14 7 12.80 2.40 1 -14 -7 7.70 6.10 -1 -14 7 8.40 1.40 -2 -14 -7 1377.46 64.89 2 -14 7 1312.47 64.79 -2 14 7 1316.07 76.19 -2 -14 7 1351.36 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23.90 4 -15 7 269.27 14.50 -4 -15 -7 304.17 15.10 4 15 -7 304.97 30.60 -4 -15 7 271.47 14.30 -4 -15 7 268.77 14.60 4 15 7 276.77 28.40 4 -15 -7 243.28 22.70 5 -15 7 39.00 4.00 -5 15 7 43.20 10.80 -5 -15 -7 38.20 5.30 5 15 -7 66.69 16.60 5 -15 -7 33.60 10.20 -5 -15 7 31.70 3.90 5 15 7 57.79 14.70 -6 15 7 43.80 11.00 -6 -15 -7 3.60 3.40 6 -15 -7 16.00 7.30 6 15 7 26.60 12.40 7 -15 7 360.66 17.70 -7 -15 -7 378.26 18.90 7 15 -7 310.87 35.60 7 15 7 316.27 33.30 7 -15 -7 273.47 25.70 -7 -15 7 347.57 17.80 -7 -15 7 356.76 17.90 -8 -15 -7 11.90 4.10 8 -15 7 14.90 2.60 -8 -15 7 16.60 2.90 8 15 7 -1.70 8.90 -8 -15 7 17.70 3.40 9 -15 7 279.77 14.30 -9 -15 -7 264.07 16.10 9 -15 -7 314.47 25.50 -9 -15 7 280.27 15.00 9 15 7 202.08 29.40 -9 -15 7 268.57 14.70 -10 15 7 124.99 7.80 -10 -15 -7 131.59 10.30 -10 -15 7 114.09 8.00 -10 -15 7 139.09 8.80 -11 15 7 6.40 1.80 -11 -15 -7 -5.90 4.50 -11 -15 7 6.50 3.50 -12 15 7 232.48 11.80 -12 -15 -7 198.68 14.00 -12 -15 7 239.68 13.10 -13 15 7 247.18 13.30 -13 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187.18 9.70 9 11 9 190.48 24.00 -9 -11 9 156.78 9.90 9 -11 -9 159.68 17.40 -9 -11 9 169.78 10.80 -9 -11 9 183.48 10.40 10 -11 9 149.88 8.30 10 11 -9 166.88 13.10 -10 11 9 143.69 7.90 10 11 9 89.09 21.10 -10 -11 9 125.69 8.30 10 -11 -9 112.69 14.90 -10 -11 9 144.59 8.90 -11 11 9 4.50 2.00 -11 -11 -9 -4.10 3.40 -11 -11 9 5.60 2.20 11 11 9 6.10 11.80 -11 -11 9 4.10 3.10 -12 11 9 110.89 7.10 -12 -11 -9 76.29 10.70 -12 -11 9 99.89 8.40 -12 -11 9 107.49 7.80 -13 -11 -9 135.39 10.40 -13 11 9 168.88 9.30 -13 -11 9 171.68 9.30 -13 -11 9 159.98 10.30 -14 -11 -9 24.00 4.00 -14 11 9 39.00 4.20 -14 -11 9 39.80 5.60 -15 -11 -9 12.80 2.90 -15 11 9 20.10 3.40 -15 -11 9 21.10 4.80 -15 11 -9 17.40 3.50 -16 11 9 116.09 8.00 -16 11 -9 141.09 7.90 -16 -11 9 121.39 8.10 0 12 9 9.60 5.90 0 -12 -9 6.10 5.30 0 -12 9 4.10 1.30 0 -12 9 3.10 2.00 1 -12 9 40.50 3.60 -1 12 9 56.39 15.60 1 12 9 33.70 10.50 -1 -12 9 37.80 2.70 1 -12 -9 40.70 10.80 -1 -12 9 38.20 3.70 -1 -12 9 40.10 3.00 -2 12 9 7.30 5.60 -2 -12 -9 3.50 1.90 2 -12 9 4.60 2.00 -2 -12 9 4.80 1.90 2 -12 -9 0.40 6.00 -2 -12 9 3.40 1.20 -2 -12 9 3.00 1.20 2 12 9 7.60 7.20 3 -12 9 71.49 4.90 -3 12 9 65.69 11.30 -3 -12 -9 73.29 5.10 -3 -12 9 67.09 4.20 3 -12 -9 65.09 12.00 3 12 9 49.80 13.00 -3 -12 9 62.99 4.20 -3 -12 9 64.29 4.70 4 -12 9 28.00 3.30 4 12 -9 44.90 11.80 -4 12 9 47.90 9.00 -4 -12 -9 29.80 4.20 -4 -12 9 28.10 3.40 4 12 9 19.90 9.40 4 -12 -9 25.60 8.10 -4 -12 9 24.70 2.90 5 -12 9 690.03 33.70 5 12 -9 684.03 48.60 -5 12 9 678.23 40.80 -5 -12 -9 762.42 34.30 -5 -12 9 673.63 33.30 -5 -12 9 673.63 33.40 5 12 9 611.74 46.50 5 -12 -9 628.64 41.80 -5 -12 9 696.53 33.60 6 12 -9 32.70 12.40 -6 12 9 60.19 3.80 -6 12 9 58.99 9.70 6 -12 9 57.49 4.70 -6 -12 -9 61.89 6.00 6 12 9 59.99 15.00 -6 -12 9 59.39 4.20 -6 -12 9 58.79 4.60 -6 -12 9 60.29 4.60 6 -12 -9 44.50 11.90 7 -12 9 582.94 28.50 7 12 -9 569.44 32.00 -7 12 9 599.94 27.90 -7 -12 -9 519.25 29.20 7 -12 -9 510.75 36.70 -7 -12 9 603.34 28.50 -7 -12 9 561.44 28.10 7 12 9 560.44 48.00 -7 -12 9 587.14 28.30 8 -12 9 27.20 3.70 -8 12 9 22.50 2.70 8 -12 -9 15.10 6.80 -8 -12 9 23.00 3.20 8 12 9 8.40 10.70 -8 -12 9 25.20 3.30 -8 -12 9 23.90 3.70 -9 12 9 55.19 4.00 9 -12 9 56.49 4.80 9 12 9 68.89 16.50 -9 -12 9 59.19 5.40 9 -12 -9 60.19 12.90 -9 -12 9 50.49 4.40 -9 -12 9 46.90 4.70 10 -12 9 27.90 3.80 -10 12 9 30.20 3.40 -10 -12 9 33.30 4.90 -10 -12 9 33.90 3.80 10 12 9 41.00 15.10 -11 12 9 16.60 3.30 -11 -12 9 31.70 3.60 -11 -12 9 21.50 3.70 11 12 9 6.10 15.90 -12 -12 -9 16.40 5.00 -12 12 9 37.90 3.90 -12 -12 9 31.50 4.50 -13 -12 -9 19.10 4.50 -13 12 9 31.50 3.70 -13 -12 9 41.40 5.70 -14 -12 -9 11.80 3.60 -14 12 9 23.20 4.30 -14 12 -9 22.60 4.30 -14 -12 9 20.20 3.60 -15 12 9 201.18 11.10 -15 12 -9 218.88 11.60 -15 -12 9 202.38 11.90 -16 12 -9 3.50 2.50 -16 -12 9 1.80 2.40 0 -13 9 146.19 8.80 0 13 9 157.78 18.50 0 -13 -9 166.08 17.40 1 -13 9 1.70 2.00 -1 13 9 0.40 5.70 -1 -13 9 4.20 1.40 -1 -13 9 3.10 2.10 1 13 9 5.10 6.50 -1 -13 9 4.30 1.20 1 -13 -9 5.00 6.20 -2 13 9 56.89 11.60 2 -13 9 53.29 4.50 -2 -13 -9 58.19 4.70 2 13 9 53.09 12.70 -2 -13 9 50.09 4.40 2 -13 -9 55.89 12.30 -2 -13 9 46.40 3.50 -2 -13 9 51.69 3.80 -3 13 9 7.50 6.00 -3 -13 -9 28.90 4.00 3 -13 9 20.70 3.40 -3 -13 9 22.10 2.60 3 -13 -9 15.20 7.40 -3 -13 9 23.70 3.40 -3 -13 9 24.00 2.60 3 13 9 17.90 9.60 4 13 -9 218.88 23.90 4 -13 9 208.48 11.40 -4 13 9 183.68 18.60 -4 -13 -9 229.68 11.90 4 -13 -9 202.28 19.70 -4 -13 9 216.68 11.40 4 13 9 189.38 23.00 -4 -13 9 201.88 10.70 -4 -13 9 203.58 10.90 5 -13 9 35.40 4.00 -5 -13 -9 38.80 4.90 5 13 -9 40.00 11.30 -5 -13 9 36.70 3.90 -5 -13 9 32.50 3.00 5 -13 -9 36.70 10.30 5 13 9 23.40 11.00 -5 -13 9 36.90 3.60 -6 -13 -9 886.61 39.70 6 -13 9 800.82 38.60 6 13 -9 716.63 54.49 6 13 -9 758.72 41.30 -6 -13 9 759.42 38.10 6 -13 -9 676.93 47.00 -6 -13 9 861.51 38.70 6 13 9 742.43 58.99 -6 -13 9 790.32 38.40 -7 -13 -9 68.29 7.00 -7 13 9 72.19 4.40 7 13 -9 45.70 14.10 7 13 9 79.19 17.70 7 -13 -9 74.39 14.10 -7 -13 9 65.29 4.50 -7 -13 9 74.79 5.60 -8 13 9 206.88 11.00 8 -13 9 224.28 11.60 -8 -13 -9 205.78 12.90 8 -13 -9 183.78 19.90 -8 -13 9 210.08 11.60 -8 -13 9 211.08 11.70 -8 -13 9 202.58 10.90 8 13 9 197.48 25.70 -9 13 9 6.40 1.80 9 -13 9 5.90 2.40 -9 -13 -9 -6.60 3.80 -9 -13 9 10.50 2.00 -9 -13 9 3.10 2.50 -9 -13 9 7.30 2.70 9 13 9 16.30 9.50 -11 -13 9 2.80 4.20 -12 13 9 1.20 2.00 -12 -13 9 2.20 3.20 -13 -13 -9 -7.20 2.90 -13 13 9 0.20 1.90 -13 -13 9 -1.70 2.90 -14 13 9 134.29 7.80 -14 13 -9 135.49 9.20 -14 -13 9 128.69 10.10 -15 -13 9 14.10 3.20 -15 13 -9 15.30 2.70 -16 -13 9 198.58 12.10 -16 13 -9 257.17 13.10 0 -14 9 0.70 2.10 0 14 9 8.70 7.70 -1 -14 -9 208.18 10.90 -1 14 9 187.18 20.50 1 -14 9 183.68 10.80 -1 -14 9 204.98 10.20 -1 -14 9 186.38 10.10 -1 -14 9 199.18 10.90 1 14 9 191.78 21.40 1 -14 -9 194.58 19.50 -2 -14 -9 25.70 3.80 2 -14 9 22.10 3.50 -2 14 9 23.50 8.30 2 14 9 12.00 8.40 -2 -14 9 19.40 2.50 -2 -14 9 26.70 3.80 2 -14 -9 22.50 8.10 -2 -14 9 19.00 2.30 -3 -14 -9 111.69 7.20 -3 14 9 123.19 14.00 3 -14 9 104.89 6.70 3 14 9 93.49 17.30 -3 -14 9 95.59 5.70 -3 -14 9 100.19 6.00 3 -14 -9 85.19 15.00 -3 -14 9 106.59 6.70 -4 14 9 68.29 11.80 4 14 -9 48.50 13.80 -4 -14 -9 57.19 5.50 4 -14 9 50.59 4.80 4 14 9 41.60 12.90 -4 -14 9 58.19 4.20 -4 -14 9 57.89 4.80 -4 -14 9 49.90 3.50 4 -14 -9 48.70 11.90 5 -14 9 764.82 38.10 -5 14 9 711.03 45.90 -5 -14 -9 848.02 40.10 5 14 -9 810.62 55.49 -5 -14 9 747.33 37.80 5 -14 -9 818.32 52.89 5 14 9 768.62 59.79 -5 -14 9 703.03 37.30 -5 -14 9 797.82 38.20 6 14 -9 40.40 15.00 6 -14 9 25.10 3.50 -6 -14 -9 18.40 4.10 -6 -14 9 14.50 2.20 -6 -14 9 20.70 3.10 6 -14 -9 8.80 8.60 6 14 9 26.10 12.50 7 -14 9 180.28 10.10 -7 -14 -9 192.48 11.60 7 14 -9 161.48 27.20 7 14 9 151.68 23.40 7 -14 -9 160.08 19.20 -7 -14 9 174.08 10.20 -7 -14 9 179.58 10.20 -8 -14 -9 130.99 9.90 8 -14 9 130.49 8.20 -8 -14 9 137.79 8.40 8 -14 -9 134.99 16.50 -8 -14 9 136.39 8.50 8 14 9 123.99 21.90 -9 14 9 44.80 3.50 -9 -14 -9 23.70 4.90 9 -14 9 47.20 4.40 -9 -14 9 30.90 4.40 -9 -14 9 42.90 5.20 9 14 9 62.49 18.00 -10 14 9 18.70 2.70 10 -14 9 10.30 2.60 -10 -14 -9 -2.30 4.10 -10 -14 9 6.40 2.70 -10 -14 9 10.90 3.30 -11 14 9 16.60 2.80 -11 -14 9 11.80 3.30 -12 14 9 3.60 1.80 -12 -14 9 3.00 3.40 -13 14 9 80.89 5.20 -13 -14 9 74.69 6.50 -14 14 9 81.89 5.70 -14 -14 9 57.29 5.90 -14 14 -9 65.89 5.10 -15 -14 9 114.09 7.90 -15 14 -9 137.59 8.30 0 15 9 310.47 28.90 0 -15 9 363.86 18.00 -1 15 9 2.00 7.00 -1 -15 -9 3.90 2.50 1 -15 9 7.10 2.40 1 -15 -9 5.60 6.90 1 15 9 10.00 8.80 -1 -15 9 6.00 2.50 2 -15 9 252.57 13.80 -2 15 9 243.78 23.90 -2 -15 -9 269.17 13.90 2 15 9 230.38 26.00 2 -15 -9 258.97 23.10 -2 -15 9 253.97 13.10 -2 -15 9 264.27 13.90 -3 15 9 78.69 14.30 3 15 -9 92.99 16.80 3 -15 9 83.29 6.00 -3 -15 9 75.99 4.80 3 -15 -9 67.69 13.70 3 15 9 46.00 15.30 -3 -15 9 84.59 5.10 -4 15 9 132.69 17.30 4 15 -9 205.98 23.70 4 -15 9 167.28 10.00 -4 -15 -9 189.08 10.60 4 15 9 142.09 21.80 -4 -15 9 194.28 10.20 -4 -15 9 176.68 9.50 4 -15 -9 149.49 19.20 5 -15 9 31.40 4.10 -5 15 9 13.50 8.40 -5 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2.70 12 -5 12 9.00 2.80 -12 -5 12 3.50 3.50 12 5 12 10.20 11.20 -12 -5 12 6.00 3.30 13 -5 12 -6.60 3.10 -13 5 12 3.40 4.30 -13 -5 12 2.10 5.20 -13 -5 12 -0.80 4.50 -14 5 12 41.30 5.20 -14 -5 12 40.40 5.90 14 5 12 39.20 5.10 -14 -5 12 34.70 6.30 -15 5 12 0.00 2.80 -15 -5 12 4.20 3.40 -15 -5 12 0.70 3.30 -16 5 12 0.70 2.50 -16 -5 12 3.20 2.70 -16 -5 12 1.90 2.80 -17 5 12 5.50 2.40 -17 5 -12 -1.30 2.30 0 -6 12 5.80 1.90 0 -6 12 6.80 1.70 0 6 12 0.80 4.20 0 -6 -12 2.00 4.60 0 6 12 7.10 1.30 1 -6 12 132.49 7.50 1 -6 12 139.29 7.30 -1 6 12 125.59 12.60 -1 6 12 129.19 7.10 -1 -6 -12 143.99 14.90 -1 -6 12 135.49 7.30 1 6 12 113.99 6.80 1 6 12 141.49 14.30 -1 -6 12 130.39 7.40 1 -6 -12 122.09 13.20 -2 6 12 6.90 1.50 2 -6 12 7.80 2.10 2 -6 12 8.60 1.80 -2 6 12 7.10 3.60 2 6 12 10.00 5.90 -2 -6 12 7.60 1.70 2 6 12 5.80 1.10 -2 -6 12 6.50 1.60 -2 -6 12 7.60 1.20 2 -6 -12 0.40 4.30 3 -6 12 13.40 2.70 3 -6 12 22.60 3.60 -3 6 12 15.80 2.30 -3 6 12 13.70 4.00 3 6 -12 17.20 2.40 -3 -6 12 16.00 2.50 -3 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6 12 28.10 17.90 9 -6 -12 42.50 11.20 -9 -6 12 35.00 4.80 10 6 -12 30.50 7.00 10 -6 12 32.40 4.50 -10 -6 -12 39.00 3.60 -10 6 12 34.40 4.30 -10 -6 12 22.30 3.80 -10 -6 12 32.80 4.90 10 -6 -12 31.80 7.90 10 6 12 41.90 12.80 -11 6 12 -0.80 2.30 11 6 -12 5.50 3.90 11 -6 12 1.20 2.40 -11 -6 12 -3.70 2.80 11 6 12 -13.00 7.80 11 -6 -12 -1.50 5.00 -11 -6 12 1.80 3.00 -12 6 12 29.30 4.60 12 -6 12 28.70 4.20 -12 -6 12 24.30 4.10 12 6 12 43.80 13.50 -12 -6 12 24.00 4.30 -13 6 12 46.70 5.10 -13 -6 12 47.90 6.40 -13 -6 12 39.50 6.30 -14 6 12 1.00 2.60 -14 -6 12 0.30 3.20 -14 -6 12 5.20 3.50 -15 6 12 16.60 3.20 -15 -6 12 15.80 3.40 -15 -6 12 20.50 3.90 -16 6 12 5.90 2.70 -16 -6 12 5.10 2.70 -16 -6 12 6.90 2.80 -16 6 -12 -3.40 2.60 -17 6 12 20.00 3.40 -17 -6 12 17.40 3.00 0 7 12 -1.20 4.30 0 7 12 -1.90 1.00 0 -7 12 0.30 1.60 0 -7 -12 0.50 4.60 0 -7 12 1.30 1.40 -1 7 12 -3.80 4.00 -1 7 12 7.80 1.30 1 -7 12 6.30 1.70 -1 -7 -12 3.30 5.30 1 -7 12 5.30 2.00 1 7 12 0.80 5.00 1 -7 -12 4.30 4.70 -1 -7 12 6.80 1.70 -1 -7 12 4.20 1.70 2 -7 12 53.59 4.60 -2 7 12 53.99 3.30 -2 7 12 32.70 7.60 2 -7 12 43.40 5.50 2 7 12 37.50 9.60 -2 -7 12 43.90 3.60 -2 -7 12 43.10 2.90 2 -7 -12 34.70 9.00 -2 -7 12 48.00 3.70 3 -7 12 17.00 2.80 3 7 -12 13.70 2.20 3 -7 12 12.30 2.40 -3 7 12 13.80 4.70 -3 7 12 18.40 2.20 -3 -7 12 10.20 1.50 -3 -7 12 15.30 3.90 -3 -7 12 14.30 2.10 3 -7 -12 9.00 6.60 3 7 12 6.50 6.50 4 7 -12 115.89 7.70 4 -7 12 125.49 7.30 -4 7 12 129.49 6.80 -4 7 12 110.49 10.00 -4 -7 12 119.09 6.80 -4 -7 12 126.49 6.60 4 7 12 103.29 15.50 4 -7 -12 102.89 12.40 -4 -7 12 112.09 7.10 -5 7 12 25.80 3.00 5 -7 12 30.90 3.70 5 7 -12 20.70 3.90 -5 -7 -12 12.00 2.80 5 -7 -12 20.40 6.90 -5 -7 12 20.20 3.30 -5 -7 12 24.70 2.90 5 7 12 26.50 9.80 -6 7 12 9.90 1.80 -6 -7 -12 11.40 2.30 6 7 -12 18.70 4.10 6 -7 12 11.10 2.60 -6 -7 12 13.10 2.20 6 7 12 10.10 8.40 -6 -7 12 7.60 2.40 -6 -7 12 9.80 2.00 6 -7 -12 8.70 5.50 -7 -7 -12 38.50 4.00 7 7 -12 42.60 6.00 7 -7 12 45.60 4.50 -7 7 12 43.30 3.70 -7 -7 12 43.30 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1.80 2.20 -16 -7 14 2.40 2.00 0 -8 14 835.82 41.60 0 -8 -14 840.82 50.29 0 8 14 830.92 50.79 0 -8 14 869.61 41.30 -1 8 14 3.70 1.30 -1 8 14 3.80 5.70 1 -8 14 7.30 2.30 1 -8 14 5.80 1.80 -1 -8 -14 6.00 7.10 1 8 14 2.30 6.90 -1 -8 14 3.60 1.80 1 -8 -14 2.70 6.10 -1 -8 14 6.40 2.20 -2 8 14 466.75 30.70 2 -8 14 462.75 23.80 -2 8 14 447.46 23.20 2 -8 14 510.05 23.50 2 -8 -14 430.66 31.20 2 8 14 462.35 34.10 -2 -8 14 485.95 23.40 -2 -8 14 472.25 23.60 -3 -8 -14 66.99 4.80 -3 8 14 61.99 4.30 3 -8 14 58.39 4.80 -3 8 14 62.09 8.80 3 -8 14 62.69 5.10 -3 -8 14 55.99 3.80 3 8 14 69.29 13.80 -3 -8 14 61.49 4.60 -3 -8 14 61.29 4.70 3 -8 -14 45.90 11.60 -4 -8 -14 15.60 2.90 -4 8 14 17.70 2.80 4 -8 14 20.50 3.30 -4 -8 14 14.10 2.20 -4 -8 14 15.80 2.50 4 -8 -14 3.50 7.10 4 8 14 15.70 8.60 -4 -8 14 15.70 2.80 -5 8 14 4.90 2.00 -5 -8 -14 -1.40 2.00 5 -8 14 2.60 2.60 5 -8 -14 1.40 5.90 5 8 14 -5.90 7.60 -5 -8 14 0.90 1.70 -5 -8 14 2.50 1.90 -5 -8 14 5.60 2.60 -6 8 14 247.08 13.00 -6 -8 -14 224.58 13.30 6 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24.00 3.70 -11 -10 15 33.30 4.90 12 -10 15 13.50 3.10 -12 10 15 12.10 2.80 -12 -10 15 7.10 2.80 -12 -10 15 13.80 3.10 -13 10 15 60.29 5.10 -13 -10 15 50.39 5.00 -14 10 15 42.90 4.00 -14 -10 15 47.70 5.00 -15 10 -15 25.70 4.50 -15 -10 15 16.20 2.50 0 -11 15 10.30 2.50 0 11 15 -0.70 7.00 0 -11 -15 5.90 7.20 0 -11 15 5.00 2.80 -1 11 15 9.60 6.70 1 -11 15 3.00 2.10 1 -11 15 3.60 3.00 -1 -11 15 2.30 2.70 -1 -11 15 4.40 1.90 1 11 15 -7.80 7.10 1 -11 -15 2.60 6.70 -2 -11 -15 143.59 8.30 -2 11 15 125.39 15.60 2 -11 15 137.49 10.20 -2 -11 15 134.99 7.80 2 11 15 121.09 18.40 -2 -11 15 122.59 8.20 2 -11 -15 128.69 20.50 -3 -11 -15 49.99 4.90 3 -11 15 46.10 5.00 3 11 15 26.40 12.00 -3 -11 15 40.80 4.50 3 -11 -15 30.00 10.00 -4 -11 -15 191.88 10.80 4 -11 15 178.88 10.60 -4 -11 15 176.28 9.90 4 -11 -15 178.38 20.40 -4 -11 15 174.48 10.20 4 11 15 125.49 20.90 5 -11 15 16.20 3.50 -5 -11 -15 13.30 3.40 -5 -11 15 19.30 2.80 -5 -11 15 17.20 3.00 -5 -11 15 23.70 3.70 5 -11 -15 12.80 7.90 5 11 15 25.10 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23 73.29 5.40 1 4 23 84.39 7.00 -1 -4 23 65.89 6.60 -1 -4 23 83.79 6.10 -2 4 23 3.10 2.30 2 -4 23 -1.00 3.10 -2 4 23 -1.50 2.10 2 -4 23 1.60 3.50 -2 -4 23 -1.80 2.60 2 4 23 1.40 3.70 -2 -4 23 5.40 2.70 3 -4 23 70.19 7.10 -3 4 23 61.29 5.20 -3 -4 23 77.19 6.00 -3 -4 23 58.69 5.30 3 4 23 56.79 7.10 -4 4 23 30.10 5.20 4 -4 23 42.10 6.20 -4 -4 23 24.40 4.70 -4 -4 23 42.10 5.00 4 4 23 27.70 5.30 -5 4 23 158.68 9.50 5 -4 23 166.88 11.00 5 4 23 148.69 11.10 -5 -4 23 168.08 9.90 -6 4 23 12.90 3.10 6 -4 23 9.70 3.90 6 4 23 13.70 4.20 -6 -4 23 14.70 3.50 -7 4 23 53.99 5.60 7 -4 23 57.09 6.80 -7 -4 23 62.39 6.10 7 4 23 53.99 7.00 -8 4 23 2.10 2.70 8 -4 23 2.60 3.40 8 4 23 2.50 4.10 -8 -4 23 3.00 3.00 9 -4 23 8.30 3.70 -9 4 23 2.30 2.70 -9 -4 23 10.40 3.30 9 4 23 0.70 3.80 -10 4 23 1.40 2.40 10 -4 23 3.70 3.20 -10 -4 23 3.40 3.00 10 4 23 4.20 3.30 -11 4 23 13.60 2.60 11 -4 23 15.20 3.00 -11 -4 23 19.70 3.20 11 4 23 17.00 3.60 -12 4 23 5.10 2.00 12 -4 23 -3.40 2.10 -12 -4 23 -1.80 2.50 12 4 23 1.30 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6 23 30.30 5.00 0 -7 23 158.08 9.70 0 -7 23 159.78 10.30 0 7 23 132.29 11.10 1 -7 23 125.29 9.10 1 -7 23 121.19 10.10 -1 -7 23 136.79 9.10 1 7 23 132.99 12.40 -1 -7 23 122.59 9.50 -2 7 23 36.10 3.90 -2 -7 23 45.30 6.70 -3 7 23 109.99 7.00 3 -7 23 118.99 9.00 3 7 23 127.19 9.10 -3 -7 23 125.89 8.00 -3 -7 23 120.09 7.90 4 -7 23 4.00 3.50 -4 7 23 0.30 1.90 4 7 23 7.30 4.00 -4 -7 23 1.10 2.30 -4 -7 23 8.50 3.10 -5 7 23 0.30 2.00 5 -7 23 1.10 3.70 5 7 23 -1.90 3.70 -5 -7 23 7.40 3.10 6 -7 23 1.80 3.60 -6 7 23 -3.20 2.00 6 7 23 -1.80 3.80 -6 -7 23 2.70 2.90 7 -7 23 26.10 4.30 -7 7 23 18.90 3.70 -7 -7 23 36.70 4.90 7 7 23 22.10 4.60 -8 7 23 0.20 2.20 8 -7 23 6.60 3.30 -8 -7 23 9.20 3.10 8 7 23 5.40 3.80 -9 7 23 29.30 3.70 9 -7 23 38.40 5.20 -9 -7 23 35.30 5.10 9 7 23 36.80 6.00 10 -7 23 52.49 5.40 -10 7 23 46.90 5.10 10 7 23 49.90 5.90 -10 -7 23 61.59 5.00 11 -7 23 0.20 2.10 11 7 23 -0.70 2.60 -11 -7 23 5.80 2.40 0 -8 23 4.00 3.30 0 8 23 3.20 2.70 0 -8 23 3.80 3.20 0 -8 -23 0.50 1.90 1 -8 23 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6 1 29 64.69 6.80 1 -2 29 40.30 4.50 2 -2 29 -3.60 2.30 3 -2 29 12.10 3.20 -3 -2 29 8.40 2.20 3 2 29 0.80 2.60 4 -2 29 0.40 3.20 -4 -2 29 4.00 2.10 4 2 29 -2.20 2.20 5 -2 29 32.60 4.00 5 2 29 29.80 3.90 -5 -2 29 31.40 3.20 6 -2 29 -0.50 3.00 1 -3 29 -3.90 2.00 2 -3 29 22.60 4.40 2 3 29 9.60 3.30 3 -3 29 2.10 2.70 3 3 29 -1.50 2.00 -3 -3 29 2.10 2.00 4 -3 29 6.70 3.10 4 3 29 5.20 2.40 -4 -3 29 10.20 2.60 5 -3 29 -0.20 2.20 -5 -3 29 2.10 2.00 5 3 29 -0.10 2.80 1 -4 29 32.60 3.60 2 -4 29 -0.60 3.10 3 -4 29 6.90 3.10 -3 -4 29 8.00 2.20 4 -4 29 0.90 2.50 -4 -4 29 3.40 2.40 5 -4 29 8.60 2.50 -5 -4 29 11.70 2.30 1 -5 29 6.60 2.30 2 -5 29 12.60 2.70 3 -5 29 -1.50 2.20 -3 -5 29 4.70 2.10 4 -5 29 6.10 2.40 -4 -5 29 9.80 2.70 -5 -5 29 0.30 1.90 2 -6 29 5.80 2.30 3 -6 29 23.30 3.70 4 -6 29 1.20 2.70 -4 -6 29 2.70 2.00 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 11182 _shelx_fab_file ; 2 0 0 147.82 0.00 4 0 0 -0.47 0.00 6 0 0 47.90 0.00 8 0 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0.00 6 3 26 -1.52 0.00 7 3 26 1.08 0.00 8 3 26 0.68 0.00 9 3 26 1.12 0.00 10 3 26 1.46 0.00 0 4 26 -2.55 0.00 1 4 26 1.14 0.00 2 4 26 -2.71 0.00 3 4 26 0.72 0.00 4 4 26 1.56 0.00 5 4 26 2.49 0.00 6 4 26 0.36 0.00 7 4 26 -0.05 0.00 8 4 26 -1.34 0.00 9 4 26 -1.65 0.00 10 4 26 -0.31 0.00 1 5 26 2.26 0.00 2 5 26 -0.50 0.00 3 5 26 0.35 0.00 4 5 26 -1.24 0.00 5 5 26 -1.10 0.00 6 5 26 -2.09 0.00 7 5 26 -0.08 0.00 8 5 26 -0.63 0.00 9 5 26 1.12 0.00 0 6 26 0.21 0.00 1 6 26 1.11 0.00 2 6 26 -1.18 0.00 3 6 26 0.78 0.00 4 6 26 -0.53 0.00 5 6 26 2.74 0.00 6 6 26 -0.39 0.00 7 6 26 2.92 0.00 8 6 26 0.06 0.00 9 6 26 0.82 0.00 1 7 26 0.03 0.00 2 7 26 -1.66 0.00 3 7 26 2.18 0.00 4 7 26 -1.68 0.00 5 7 26 2.96 0.00 6 7 26 -2.00 0.00 7 7 26 0.23 0.00 8 7 26 -1.49 0.00 9 7 26 -0.26 0.00 0 8 26 -0.01 0.00 1 8 26 0.88 0.00 2 8 26 -1.78 0.00 3 8 26 1.09 0.00 4 8 26 -3.93 0.00 5 8 26 -0.25 0.00 6 8 26 -1.37 0.00 7 8 26 -0.76 0.00 8 8 26 -1.23 0.00 1 9 26 0.33 0.00 2 9 26 -0.34 0.00 3 9 26 2.47 0.00 4 9 26 1.39 0.00 5 9 26 1.72 0.00 6 9 26 1.51 0.00 7 9 26 0.86 0.00 8 9 26 1.50 0.00 0 10 26 0.11 0.00 1 10 26 -0.09 0.00 2 10 26 0.40 0.00 3 10 26 -1.13 0.00 4 10 26 -1.77 0.00 5 10 26 -1.38 0.00 6 10 26 0.57 0.00 7 10 26 -0.76 0.00 1 11 26 -0.76 0.00 2 11 26 1.58 0.00 3 11 26 -0.44 0.00 4 11 26 0.48 0.00 5 11 26 1.06 0.00 6 11 26 0.16 0.00 0 12 26 0.81 0.00 1 12 26 -2.13 0.00 2 12 26 1.67 0.00 3 12 26 -1.53 0.00 4 12 26 -1.76 0.00 5 12 26 0.33 0.00 6 12 26 -0.59 0.00 1 13 26 -2.44 0.00 2 13 26 3.06 0.00 3 13 26 0.77 0.00 4 13 26 -0.11 0.00 1 14 26 -0.49 0.00 2 14 26 1.44 0.00 1 0 27 -3.74 0.00 3 0 27 0.34 0.00 5 0 27 0.16 0.00 7 0 27 -0.88 0.00 9 0 27 -2.07 0.00 0 1 27 2.83 0.00 1 1 27 1.22 0.00 2 1 27 3.35 0.00 3 1 27 0.81 0.00 4 1 27 -0.85 0.00 5 1 27 -1.02 0.00 6 1 27 1.02 0.00 7 1 27 0.23 0.00 8 1 27 0.92 0.00 9 1 27 -0.01 0.00 1 2 27 -3.04 0.00 2 2 27 -2.08 0.00 3 2 27 -2.34 0.00 4 2 27 0.84 0.00 5 2 27 -0.15 0.00 6 2 27 0.30 0.00 7 2 27 -1.02 0.00 8 2 27 0.68 0.00 9 2 27 -0.98 0.00 0 3 27 1.34 0.00 1 3 27 0.97 0.00 2 3 27 2.91 0.00 3 3 27 0.98 0.00 4 3 27 0.91 0.00 5 3 27 -1.98 0.00 6 3 27 0.74 0.00 7 3 27 -1.50 0.00 8 3 27 1.63 0.00 9 3 27 -0.94 0.00 1 4 27 -1.05 0.00 2 4 27 -0.97 0.00 3 4 27 -2.13 0.00 4 4 27 1.36 0.00 5 4 27 -1.28 0.00 6 4 27 2.84 0.00 7 4 27 -1.62 0.00 8 4 27 2.05 0.00 0 5 27 1.04 0.00 1 5 27 0.07 0.00 2 5 27 1.61 0.00 3 5 27 -0.59 0.00 4 5 27 2.83 0.00 5 5 27 -1.45 0.00 6 5 27 1.54 0.00 7 5 27 -1.59 0.00 8 5 27 0.26 0.00 1 6 27 -1.72 0.00 2 6 27 0.61 0.00 3 6 27 -1.73 0.00 4 6 27 0.30 0.00 5 6 27 -2.53 0.00 6 6 27 -0.68 0.00 7 6 27 0.12 0.00 8 6 27 -0.46 0.00 0 7 27 0.67 0.00 1 7 27 -0.23 0.00 2 7 27 0.98 0.00 3 7 27 -0.69 0.00 4 7 27 1.31 0.00 5 7 27 0.73 0.00 6 7 27 0.51 0.00 7 7 27 0.89 0.00 1 8 27 0.65 0.00 2 8 27 0.62 0.00 3 8 27 -0.77 0.00 4 8 27 1.38 0.00 5 8 27 -0.88 0.00 6 8 27 -0.27 0.00 7 8 27 0.52 0.00 0 9 27 -2.37 0.00 1 9 27 -0.81 0.00 2 9 27 0.83 0.00 3 9 27 -0.57 0.00 4 9 27 1.57 0.00 5 9 27 -1.85 0.00 6 9 27 -0.15 0.00 1 10 27 0.84 0.00 2 10 27 -0.78 0.00 3 10 27 -3.33 0.00 4 10 27 0.77 0.00 5 10 27 -1.09 0.00 6 10 27 0.86 0.00 0 11 27 -1.37 0.00 1 11 27 -0.02 0.00 2 11 27 2.20 0.00 3 11 27 2.06 0.00 4 11 27 3.78 0.00 5 11 27 -0.26 0.00 1 12 27 -0.51 0.00 2 12 27 -0.86 0.00 3 12 27 -2.71 0.00 0 0 28 -1.63 0.00 2 0 28 -2.57 0.00 4 0 28 0.31 0.00 6 0 28 1.41 0.00 8 0 28 0.70 0.00 1 1 28 1.85 0.00 2 1 28 -0.59 0.00 3 1 28 1.13 0.00 4 1 28 0.11 0.00 5 1 28 -1.63 0.00 6 1 28 -2.07 0.00 7 1 28 -0.38 0.00 8 1 28 -0.72 0.00 0 2 28 -1.61 0.00 1 2 28 0.21 0.00 2 2 28 -0.19 0.00 3 2 28 0.09 0.00 4 2 28 0.02 0.00 5 2 28 1.76 0.00 6 2 28 0.84 0.00 7 2 28 1.98 0.00 8 2 28 0.86 0.00 1 3 28 0.20 0.00 2 3 28 -0.74 0.00 3 3 28 0.14 0.00 4 3 28 -0.34 0.00 5 3 28 -0.36 0.00 6 3 28 -1.05 0.00 7 3 28 -1.28 0.00 0 4 28 -1.43 0.00 1 4 28 0.31 0.00 2 4 28 0.89 0.00 3 4 28 1.76 0.00 4 4 28 0.40 0.00 5 4 28 -1.40 0.00 6 4 28 1.65 0.00 7 4 28 -1.39 0.00 1 5 28 0.71 0.00 2 5 28 -1.62 0.00 3 5 28 -1.84 0.00 4 5 28 -0.28 0.00 5 5 28 -1.88 0.00 6 5 28 1.92 0.00 7 5 28 -1.33 0.00 0 6 28 -1.44 0.00 1 6 28 -0.17 0.00 2 6 28 0.99 0.00 3 6 28 1.89 0.00 4 6 28 1.73 0.00 5 6 28 -0.32 0.00 6 6 28 0.75 0.00 1 7 28 0.30 0.00 2 7 28 0.16 0.00 3 7 28 -0.27 0.00 4 7 28 -0.80 0.00 5 7 28 -0.19 0.00 6 7 28 0.21 0.00 0 8 28 1.03 0.00 1 8 28 -1.20 0.00 2 8 28 -1.17 0.00 3 8 28 -1.59 0.00 4 8 28 -0.90 0.00 5 8 28 -0.91 0.00 1 9 28 -1.15 0.00 2 9 28 2.52 0.00 3 9 28 2.34 0.00 4 9 28 2.74 0.00 2 10 28 -0.83 0.00 1 0 29 -5.32 0.00 3 0 29 1.84 0.00 5 0 29 1.80 0.00 2 1 29 -0.34 0.00 3 1 29 0.93 0.00 4 1 29 -1.27 0.00 5 1 29 0.84 0.00 6 1 29 -1.79 0.00 1 2 29 -3.53 0.00 2 2 29 1.49 0.00 3 2 29 2.71 0.00 4 2 29 -2.59 0.00 5 2 29 1.02 0.00 6 2 29 1.09 0.00 1 3 29 -1.27 0.00 2 3 29 -2.15 0.00 3 3 29 -0.78 0.00 4 3 29 -2.42 0.00 5 3 29 1.05 0.00 1 4 29 -2.76 0.00 2 4 29 1.78 0.00 3 4 29 3.96 0.00 4 4 29 0.80 0.00 5 4 29 0.28 0.00 1 5 29 0.39 0.00 2 5 29 -0.62 0.00 3 5 29 -2.82 0.00 4 5 29 -2.39 0.00 5 5 29 -0.23 0.00 2 6 29 0.58 0.00 3 6 29 1.41 0.00 4 6 29 1.06 0.00 0 2 0 362.89 0.00 19 7 0 -0.32 0.00 18 9 0 4.47 0.00 18 11 0 -2.66 0.00 17 13 0 0.31 0.00 16 15 0 2.22 0.00 16 16 0 -3.95 0.00 9 24 0 -0.16 0.00 8 25 0 -0.59 0.00 0 26 0 7.08 0.00 1 26 0 5.12 0.00 2 26 0 3.69 0.00 3 26 0 -0.23 0.00 4 26 0 -2.93 0.00 5 26 0 -0.61 0.00 6 26 0 -0.70 0.00 1 27 0 -6.27 0.00 2 27 0 -3.60 0.00 3 27 0 -0.63 0.00 4 27 0 0.36 0.00 0 1 1 -212.82 0.00 19 7 1 0.39 0.00 18 11 1 0.13 0.00 17 13 1 -1.38 0.00 16 16 1 -0.55 0.00 8 25 1 -1.73 0.00 1 26 1 1.79 0.00 2 26 1 5.28 0.00 4 26 1 2.91 0.00 5 26 1 -1.41 0.00 6 26 1 5.07 0.00 0 27 1 -0.69 0.00 1 27 1 -5.02 0.00 2 27 1 -0.46 0.00 3 27 1 -1.85 0.00 4 27 1 1.79 0.00 19 6 2 -1.66 0.00 17 13 2 -2.49 0.00 8 25 2 0.45 0.00 0 26 2 -0.58 0.00 4 26 2 0.20 0.00 5 26 2 -2.80 0.00 6 26 2 -0.57 0.00 1 27 2 -1.45 0.00 2 27 2 0.10 0.00 3 27 2 -1.88 0.00 4 27 2 3.42 0.00 19 6 3 0.68 0.00 17 13 3 -0.45 0.00 14 19 3 -0.54 0.00 8 25 3 -0.15 0.00 5 26 3 -1.01 0.00 6 26 3 5.20 0.00 0 27 3 2.22 0.00 1 27 3 0.52 0.00 2 27 3 0.73 0.00 3 27 3 1.33 0.00 19 6 4 -1.96 0.00 18 10 4 -1.71 0.00 17 13 4 -1.45 0.00 9 16 4 3.87 0.00 14 19 4 2.65 0.00 8 25 4 -0.96 0.00 5 26 4 -1.34 0.00 6 26 4 -3.46 0.00 1 27 4 0.32 0.00 2 27 4 4.45 0.00 3 27 4 0.67 0.00 19 5 5 -1.71 0.00 18 10 5 -1.15 0.00 17 13 5 -0.21 0.00 9 16 5 -1.57 0.00 15 17 5 -0.19 0.00 6 18 5 -0.02 0.00 13 20 5 0.04 0.00 9 24 5 1.07 0.00 5 26 5 -0.94 0.00 0 27 5 -0.05 0.00 1 27 5 -2.29 0.00 2 27 5 1.08 0.00 0 0 6 -4.07 0.00 19 4 6 -2.14 0.00 16 15 6 -0.96 0.00 15 17 6 -1.95 0.00 13 20 6 0.91 0.00 12 21 6 -1.10 0.00 11 22 6 1.48 0.00 10 23 6 -0.23 0.00 9 24 6 0.22 0.00 7 25 6 -0.13 0.00 4 26 6 0.52 0.00 5 26 6 -1.01 0.00 1 27 6 0.63 0.00 19 0 7 0.63 0.00 19 1 7 1.46 0.00 19 2 7 2.37 0.00 19 3 7 0.82 0.00 18 9 7 -0.78 0.00 17 12 7 -0.36 0.00 9 14 7 2.12 0.00 14 18 7 2.43 0.00 12 21 7 -1.02 0.00 11 22 7 0.61 0.00 7 25 7 0.12 0.00 5 26 7 2.90 0.00 18 8 8 1.72 0.00 11 12 8 1.80 0.00 10 14 8 1.01 0.00 15 16 8 0.24 0.00 14 18 8 -0.37 0.00 13 19 8 1.51 0.00 4 26 8 -1.02 0.00 18 7 9 -0.69 0.00 17 11 9 3.03 0.00 10 13 9 -0.47 0.00 14 17 9 -1.26 0.00 13 19 9 -1.42 0.00 12 20 9 0.82 0.00 9 23 9 1.30 0.00 6 25 9 2.44 0.00 3 26 9 -0.16 0.00 18 2 10 0.63 0.00 18 6 10 -0.71 0.00 16 9 10 -3.56 0.00 16 13 10 0.04 0.00 15 15 10 -0.02 0.00 14 17 10 -0.18 0.00 13 18 10 -0.47 0.00 12 20 10 0.47 0.00 11 21 10 -0.45 0.00 10 22 10 0.02 0.00 5 25 10 2.43 0.00 0 26 10 1.73 0.00 1 26 10 1.74 0.00 2 26 10 1.15 0.00 18 5 11 1.08 0.00 14 13 11 1.64 0.00 14 16 11 0.75 0.00 13 18 11 -0.03 0.00 12 19 11 -0.27 0.00 11 20 11 0.43 0.00 8 23 11 -0.54 0.00 4 25 11 -0.57 0.00 18 0 12 0.51 0.00 18 1 12 1.64 0.00 18 2 12 -0.42 0.00 15 14 12 1.25 0.00 14 16 12 0.80 0.00 13 17 12 -0.40 0.00 12 18 12 0.29 0.00 1 19 12 -0.59 0.00 12 19 12 3.26 0.00 11 20 12 -2.18 0.00 10 21 12 0.36 0.00 9 22 12 -0.39 0.00 6 24 12 -0.84 0.00 3 25 12 -1.98 0.00 17 7 13 -1.20 0.00 16 11 13 0.09 0.00 14 12 13 1.91 0.00 15 13 13 -1.35 0.00 14 15 13 -1.64 0.00 13 16 13 1.98 0.00 12 17 13 1.05 0.00 13 17 13 0.37 0.00 12 18 13 0.02 0.00 11 19 13 0.46 0.00 10 20 13 -0.96 0.00 8 22 13 -0.95 0.00 7 23 13 0.75 0.00 5 24 13 -1.51 0.00 0 25 13 2.50 0.00 1 25 13 -1.50 0.00 17 5 14 1.06 0.00 17 6 14 -1.53 0.00 16 10 14 -0.86 0.00 13 12 14 -2.23 0.00 13 15 14 -1.50 0.00 13 16 14 -0.45 0.00 12 17 14 1.28 0.00 11 18 14 -2.88 0.00 12 18 14 -1.73 0.00 11 19 14 2.14 0.00 10 20 14 1.65 0.00 9 21 14 -0.56 0.00 6 23 14 2.50 0.00 4 24 14 0.60 0.00 17 2 15 0.11 0.00 17 3 15 -3.03 0.00 15 9 15 -3.52 0.00 14 13 15 3.25 0.00 14 14 15 -0.56 0.00 6 15 15 -2.26 0.00 13 15 15 0.89 0.00 12 16 15 -3.61 0.00 11 17 15 0.86 0.00 12 17 15 1.01 0.00 11 18 15 1.04 0.00 10 19 15 -1.78 0.00 9 20 15 2.30 0.00 8 21 15 -2.13 0.00 7 22 15 1.90 0.00 5 23 15 -4.57 0.00 1 24 15 3.74 0.00 2 24 15 -1.22 0.00 16 6 16 -1.98 0.00 16 7 16 -1.32 0.00 15 9 16 1.64 0.00 8 12 16 0.15 0.00 14 12 16 -4.42 0.00 14 13 16 3.07 0.00 13 14 16 -0.25 0.00 12 15 16 0.08 0.00 13 15 16 -0.30 0.00 11 16 16 -0.29 0.00 12 16 16 1.14 0.00 10 17 16 -0.93 0.00 11 17 16 -2.12 0.00 10 18 16 1.85 0.00 9 19 16 -1.45 0.00 10 19 16 -1.57 0.00 9 20 16 0.93 0.00 6 22 16 1.28 0.00 4 23 16 -3.13 0.00 16 4 17 0.28 0.00 16 5 17 1.14 0.00 10 7 17 -0.89 0.00 15 8 17 -2.98 0.00 8 9 17 -2.09 0.00 15 9 17 -3.48 0.00 14 10 17 1.64 0.00 14 11 17 1.16 0.00 13 12 17 -1.55 0.00 14 12 17 -1.30 0.00 13 13 17 0.46 0.00 12 14 17 0.64 0.00 13 14 17 -0.04 0.00 11 15 17 1.26 0.00 12 15 17 -1.05 0.00 10 16 17 -2.21 0.00 11 16 17 -0.01 0.00 10 17 17 -2.16 0.00 11 17 17 1.22 0.00 9 18 17 2.11 0.00 10 18 17 -0.05 0.00 8 19 17 -0.40 0.00 9 19 17 1.06 0.00 8 20 17 -1.10 0.00 5 22 17 0.21 0.00 0 23 17 0.36 0.00 1 23 17 0.79 0.00 16 0 18 -0.79 0.00 8 2 18 -2.77 0.00 9 4 18 -0.29 0.00 15 6 18 -0.15 0.00 15 7 18 0.64 0.00 14 9 18 -2.74 0.00 14 10 18 -1.26 0.00 12 12 18 1.18 0.00 13 12 18 1.58 0.00 12 13 18 0.02 0.00 13 13 18 -3.21 0.00 11 14 18 -0.24 0.00 12 14 18 2.18 0.00 11 15 18 -0.99 0.00 10 16 18 0.65 0.00 11 16 18 1.57 0.00 9 17 18 -0.82 0.00 10 17 18 -0.33 0.00 9 18 18 -0.18 0.00 7 20 18 1.81 0.00 3 22 18 0.82 0.00 5 0 19 -1.20 0.00 6 1 19 6.14 0.00 7 1 19 0.98 0.00 7 2 19 -5.91 0.00 8 4 19 -4.61 0.00 15 5 19 -0.03 0.00 7 8 19 -1.64 0.00 14 8 19 1.11 0.00 14 9 19 1.26 0.00 13 11 19 -0.53 0.00 11 13 19 1.80 0.00 11 14 19 1.30 0.00 10 15 19 -0.04 0.00 11 15 19 -1.36 0.00 10 16 19 2.73 0.00 9 17 19 -1.52 0.00 8 18 19 0.35 0.00 6 20 19 1.19 0.00 4 21 19 -0.17 0.00 15 1 20 0.01 0.00 5 2 20 0.36 0.00 6 3 20 -4.33 0.00 7 3 20 3.67 0.00 5 4 20 2.81 0.00 6 4 20 -4.08 0.00 7 4 20 1.16 0.00 6 5 20 -2.48 0.00 14 6 20 -0.63 0.00 6 7 20 -4.04 0.00 14 7 20 1.56 0.00 13 9 20 0.25 0.00 13 10 20 -1.74 0.00 11 12 20 1.50 0.00 12 12 20 3.30 0.00 11 13 20 -4.23 0.00 10 14 20 2.53 0.00 11 14 20 -0.23 0.00 10 15 20 -1.64 0.00 8 16 20 -0.86 0.00 9 16 20 2.45 0.00 8 17 20 -0.98 0.00 1 21 20 -1.66 0.00 5 2 21 -2.93 0.00 14 4 21 1.73 0.00 14 5 21 0.72 0.00 13 8 21 -0.16 0.00 12 11 21 -0.87 0.00 10 13 21 -0.32 0.00 11 13 21 -0.54 0.00 10 14 21 1.99 0.00 9 15 21 -4.15 0.00 8 16 21 3.29 0.00 5 19 21 -0.40 0.00 1 20 21 0.89 0.00 2 20 21 -1.73 0.00 3 5 22 -0.04 0.00 13 6 22 1.08 0.00 12 9 22 -0.38 0.00 8 15 22 0.37 0.00 5 18 22 -2.94 0.00 2 19 22 2.33 0.00 3 19 22 1.93 0.00 13 0 23 1.84 0.00 13 1 23 0.20 0.00 13 2 23 1.71 0.00 13 3 23 0.67 0.00 12 7 23 -0.78 0.00 11 10 23 0.72 0.00 10 12 23 0.37 0.00 5 17 23 2.86 0.00 2 18 23 -0.68 0.00 3 18 23 -2.63 0.00 12 4 24 1.42 0.00 11 8 24 -0.12 0.00 10 10 24 0.08 0.00 9 12 24 -1.96 0.00 8 13 24 4.63 0.00 7 14 24 -2.49 0.00 6 15 24 -0.08 0.00 5 16 24 -2.46 0.00 1 17 24 0.43 0.00 2 17 24 1.29 0.00 3 17 24 -0.49 0.00 11 5 25 0.63 0.00 10 8 25 2.07 0.00 9 10 25 -2.44 0.00 7 13 25 -3.06 0.00 6 14 25 2.65 0.00 1 16 25 1.43 0.00 2 16 25 -1.25 0.00 10 5 26 1.40 0.00 9 8 26 0.62 0.00 8 10 26 -2.54 0.00 7 11 26 0.26 0.00 5 13 26 2.23 0.00 0 14 26 2.64 0.00 3 14 26 -1.63 0.00 4 14 26 -2.11 0.00 1 15 26 -1.56 0.00 9 4 27 0.14 0.00 9 5 27 0.03 0.00 8 7 27 -0.09 0.00 7 9 27 -0.79 0.00 4 12 27 -1.31 0.00 0 13 27 1.52 0.00 1 13 27 0.02 0.00 2 13 27 0.18 0.00 8 3 28 0.47 0.00 7 6 28 -0.20 0.00 6 8 28 -0.64 0.00 5 9 28 1.07 0.00 0 10 28 3.13 0.00 1 10 28 0.04 0.00 3 10 28 -3.39 0.00 4 10 28 -0.70 0.00 1 11 28 -1.40 0.00 2 11 28 1.02 0.00 3 11 28 -0.57 0.00 0 1 29 7.56 0.00 1 1 29 -0.43 0.00 0 3 29 6.13 0.00 6 3 29 -0.21 0.00 6 4 29 1.05 0.00 0 5 29 4.16 0.00 6 5 29 0.90 0.00 1 6 29 -2.46 0.00 5 6 29 1.36 0.00 0 7 29 2.27 0.00 1 7 29 1.17 0.00 2 7 29 0.74 0.00 3 7 29 -0.65 0.00 4 7 29 -1.68 0.00 1 8 29 -0.62 0.00 2 8 29 -0.75 0.00 3 8 29 0.42 0.00 4 8 29 -0.30 0.00 0 9 29 -0.65 0.00 1 9 29 1.53 0.00 2 9 29 -0.26 0.00 0 0 30 -6.42 0.00 2 0 30 1.63 0.00 4 0 30 1.35 0.00 1 1 30 3.84 0.00 2 1 30 -1.85 0.00 3 1 30 -3.89 0.00 4 1 30 -0.16 0.00 0 2 30 -6.61 0.00 1 2 30 1.65 0.00 2 2 30 2.02 0.00 3 2 30 1.35 0.00 4 2 30 2.77 0.00 1 3 30 2.40 0.00 2 3 30 -1.65 0.00 3 3 30 -4.98 0.00 4 3 30 -0.92 0.00 0 4 30 -2.78 0.00 1 4 30 0.79 0.00 2 4 30 2.04 0.00 3 4 30 1.28 0.00 4 4 30 4.46 0.00 1 5 30 0.90 0.00 2 5 30 -0.49 0.00 3 5 30 -3.63 0.00 0 6 30 -0.63 0.00 1 6 30 -0.37 0.00 2 6 30 0.46 0.00 0 0 0 0.00 0.00 # SQUEEZE RESULTS (Version = 201118) # Note: Data are Listed for all Voids in the P1 Unit Cell # i.e. Centre of Gravity, Solvent Accessible Volume, # Recovered number of Electrons in the Void and # Details about the Squeezed Material loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons _platon_squeeze_void_content 1 0.000 0.500 0.500 241 65 ' ' 2 0.000 0.500 0.000 458 272 ' ' 3 0.500 1.000 0.500 458 272 ' ' 4 0.500 1.000 0.000 241 65 ' ' # Missing Reflections Below sin(th)/lambda = 0.25 loop_ _platon_missing_refln_index_h _platon_missing_refln_index_k _platon_missing_refln_index_l _platon_missing_refln_theta 0 2 0 3.765 0 1 1 2.521 0 0 6 10.115 _platon_squeeze_void_probe_radius 1.20 _platon_squeeze_details ) TITL 1_a P n n m R = 0.06 CELL 14.5138 20.4301 22.9139 90.00 90.00 90.00 SPGR Pnnm # Solvent Accessible Volume = 1389 # Electrons Found in S.A.V. = 673 # Note: Atoms in Void are Labelled as Cxxx and Qxxx for all Others Q101 1.000 1.003 0.305 ! 2.76 eA-3 Q102 0.597 0.453 0.501 ! 2.72 eA-3 Q103 0.328 0.516 0.506 ! 2.35 eA-3 C104 0.456 0.876 0.473 ! 2.33 eA-3 Q105 0.814 0.468 0.219 ! 2.14 eA-3 Q106 0.750 0.969 0.000 ! 2.09 eA-3 C107 0.629 0.014 0.457 ! 2.09 eA-3 Q108 0.207 0.453 0.499 ! 1.99 eA-3 C109 0.314 0.934 0.687 ! 1.98 eA-3 C110 0.814 0.566 0.813 ! 1.97 eA-3 Q111 0.403 0.624 0.388 ! 1.80 eA-3 Q112 0.908 0.844 0.128 ! 1.78 eA-3 Q113 0.674 0.019 0.280 ! 1.73 eA-3 Q114 0.404 0.406 0.494 ! 1.71 eA-3 Q115 0.015 0.563 0.085 ! 1.70 eA-3 Q116 0.404 0.625 0.318 ! 1.70 eA-3 Q117 0.964 0.375 0.497 ! 1.69 eA-3 Q118 0.380 0.077 0.539 ! 1.67 eA-3 Q119 0.882 0.454 0.046 ! 1.65 eA-3 Q120 0.505 0.548 0.217 ! 1.62 eA-3 Q121 1.000 1.000 0.000 ! 1.62 eA-3 Q122 0.026 0.544 0.108 ! 1.59 eA-3 Q123 0.826 0.987 0.286 ! 1.52 eA-3 Q124 1.001 0.609 0.833 ! 1.52 eA-3 Q125 0.973 0.483 0.194 ! 1.52 eA-3 Q126 0.169 0.423 0.872 ! 1.51 eA-3 Q127 0.763 0.063-0.001 ! 1.51 eA-3 C128 0.975 0.547-0.003 ! 1.47 eA-3 Q129 0.515 0.044 0.318 ! 1.45 eA-3 Q130 0.501 0.739 0.202 ! 1.43 eA-3 Q131 0.843 0.422 0.499 ! 1.39 eA-3 Q132 0.513 0.282 0.374 ! 1.39 eA-3 Q133 0.551 0.502 0.224 ! 1.33 eA-3 Q134 0.592 0.421 0.648 ! 1.33 eA-3 Q135 0.521 0.983 0.653 ! 1.32 eA-3 Q136 0.529 0.936 0.312 ! 1.31 eA-3 Q137 0.093 0.550 0.211 ! 1.30 eA-3 C138 0.468 0.063 0.469 ! 1.28 eA-3 C139 0.354 0.986 0.313 ! 1.27 eA-3 Q140 1.000 0.686 0.101 ! 1.26 eA-3 Q141 0.068 0.578 0.504 ! 1.26 eA-3 Q142 0.065 0.527 0.943 ! 1.26 eA-3 C143 0.166 0.328 0.501 ! 1.25 eA-3 C144 0.966 0.562 0.499 ! 1.25 eA-3 Q145 0.524 0.925 0.371 ! 1.24 eA-3 Q146 0.029 0.550 0.523 ! 1.23 eA-3 Q147 0.771 0.172 0.004 ! 1.20 eA-3 Q148 0.963 0.435 0.847 ! 1.20 eA-3 Q149 0.669 0.937 0.967 ! 1.20 eA-3 Q150 0.859 0.873 0.151 ! 1.20 eA-3 C151 0.445 0.922 0.502 ! 1.19 eA-3 Q152 0.433 0.141 0.070 ! 1.18 eA-3 Q153 0.489 0.063 0.002 ! 1.18 eA-3 C154 0.919 0.547 0.003 ! 1.17 eA-3 Q155 0.565 0.012 0.704 ! 1.16 eA-3 Q156 0.438 0.106 0.549 ! 1.16 eA-3 Q157 0.140 0.359 0.503 ! 1.16 eA-3 Q158 0.911 0.638 0.155 ! 1.16 eA-3 C159 0.598 0.187 0.004 ! 1.15 eA-3 C160 0.500 1.000 0.562 ! 1.14 eA-3 Q161 0.487 0.030 0.072 ! 1.14 eA-3 Q162 0.488 0.999 0.600 ! 1.12 eA-3 C163 0.423 0.016 0.493 ! 1.11 eA-3 Q164 0.234 0.606 0.361 ! 1.10 eA-3 Q165 0.513 0.064 0.953 ! 1.09 eA-3 Q166 0.278 0.909 0.589 ! 1.07 eA-3 Q167 0.027 0.448 0.237 ! 1.07 eA-3 Q168 0.176 0.468 0.842 ! 1.07 eA-3 Q169 0.486 0.029 0.759 ! 1.07 eA-3 Q170 0.846 0.406-0.002 ! 1.06 eA-3 Q171 0.013 0.314 0.462 ! 1.06 eA-3 Q172 0.956 0.548 0.082 ! 1.06 eA-3 Q173 0.343 0.936 0.589 ! 1.06 eA-3 Q174 0.843 0.564 0.911 ! 1.06 eA-3 C175 0.016 0.654 0.459 ! 1.05 eA-3 Q176 0.940 0.519 0.155 ! 1.05 eA-3 C177 0.199 0.453 0.002 ! 1.05 eA-3 Q178 0.327 0.375 0.497 ! 1.04 eA-3 Q179 0.605 0.969 0.339 ! 1.04 eA-3 Q180 0.927 0.565 0.886 ! 1.04 eA-3 Q181 0.567 0.076 0.340 ! 1.03 eA-3 Q182 0.803 0.250 0.001 ! 1.03 eA-3 C183 0.983 0.580 0.963 ! 1.02 eA-3 C184 1.000 0.498 0.024 ! 1.02 eA-3 C185 0.561 0.044 0.542 ! 1.02 eA-3 C186 0.439 0.950 0.551 ! 1.02 eA-3 Q187 0.434 0.127 0.155 ! 1.02 eA-3 C188 0.113 0.452 0.840 ! 1.02 eA-3 Q189 0.684 0.984 0.500 ! 1.01 eA-3 Q190 0.426 0.940 0.768 ! 1.01 eA-3 Q191 0.194 0.781 0.286 ! 1.01 eA-3 Q192 0.720 0.048 0.555 ! 1.01 eA-3 Q193 0.125 0.453 0.249 ! 1.00 eA-3 Q194 0.574 0.950 0.752 ! 1.00 eA-3 Q195 1.000 0.498 0.742 ! 1.00 eA-3 Q196 0.637 0.873 0.542 ! 1.00 eA-3 C197 0.883 0.596 0.935 ! 1.00 eA-3 Q198 0.906 0.419 0.090 ! 0.99 eA-3 Q199 0.966 0.561 0.270 ! 0.98 eA-3 ) ; _shelx_fab_checksum 55490 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, z' '-x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x, -y, -z' 'x, y, -z' 'x-1/2, -y-1/2, z-1/2' '-x-1/2, y-1/2, z-1/2' 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 Eu1 Eu 0.40722(2) 0.61997(2) 0.64714(2) 0.02262(11) Uani 1 1 d D . . . . Eu2 Eu 0.000000 1.000000 0.27492(2) 0.02305(12) Uani 1 2 d S T P . . Eu3 Eu 0.682992 0.454787 0.500000 0.020 Uani 0.159 1 d D U P A -1 O1W O 0.704226 0.571747 0.500000 0.056(6) Uani 0.1590(7) 1 d S U P A -1 O2WS O 0.824800 0.429399 0.558208 0.019(5) Uani 0.1590(7) 1 d . U P A -1 O3WS O 0.517200 0.481500 0.500000 0.034(4) Uani 0.1590(7) 1 d DS U P A -1 Eu3A Eu 0.632242 0.461739 0.500000 0.020 Uani 0.0910(7) 1 d DS U P A -2 O1WA O 0.666574 0.595487 0.500000 0.056(6) Uani 0.0910(7) 1 d S U P A -2 O2WA O 0.469398 0.434913 0.500000 0.023(6) Uani 0.0910(7) 1 d S U P A -2 O3WA O 0.795609 0.450395 0.500000 0.026(5) Uani 0.0910(7) 1 d DS U P A -2 P1_1 P 0.62486(10) 0.53167(7) 0.64084(7) 0.0210(3) Uani 1 1 d . U . . . C1_1 C 0.7303(3) 0.5773(2) 0.6536(3) 0.0268(12) Uani 1 1 d DG U . . . C2_1 C 0.8122(4) 0.54515(18) 0.6666(6) 0.036(2) Uani 0.587(17) 1 d DG U P B 1 H2_1 H 0.813965 0.498686 0.667657 0.043 Uiso 0.587(17) 1 calc R U P B 1 C3_1 C 0.8916(3) 0.5810(2) 0.6780(6) 0.036(2) Uani 0.587(17) 1 d DG U P B 1 H3_1 H 0.947550 0.559073 0.686903 0.043 Uiso 0.587(17) 1 calc R U P B 1 C4_1 C 0.8890(3) 0.6490(2) 0.6765(3) 0.0331(13) Uani 1 1 d DG U . B . C5_1 C 0.8071(4) 0.68114(18) 0.6635(6) 0.032(2) Uani 0.587(17) 1 d DG U P B 1 H5_1 H 0.805376 0.727604 0.662458 0.038 Uiso 0.587(17) 1 calc R U P B 1 C6_1 C 0.7278(3) 0.6453(2) 0.6521(5) 0.032(2) Uani 0.587(17) 1 d DG U P B 1 H6_1 H 0.671790 0.667218 0.643212 0.038 Uiso 0.587(17) 1 calc R U P B 1 C2A_1 C 0.8151(9) 0.5524(8) 0.6389(11) 0.037(3) Uani 0.413(17) 1 d D U P B 2 H2A_1 H 0.818993 0.510287 0.621426 0.044 Uiso 0.413(17) 1 calc R U P B 2 C3A_1 C 0.8956(10) 0.5879(8) 0.6490(11) 0.040(3) Uani 0.413(17) 1 d D U P B 2 H3A_1 H 0.953848 0.570912 0.637565 0.048 Uiso 0.413(17) 1 calc R U P B 2 C5A_1 C 0.8041(9) 0.6744(8) 0.6895(11) 0.034(3) Uani 0.413(17) 1 d D U P B 2 H5A_1 H 0.799254 0.715771 0.708231 0.041 Uiso 0.413(17) 1 calc R U P B 2 C6A_1 C 0.7254(10) 0.6398(7) 0.6754(10) 0.033(3) Uani 0.413(17) 1 d D U P B 2 H6A_1 H 0.666807 0.659542 0.680900 0.039 Uiso 0.413(17) 1 calc R U P B 2 O1_1 O 0.6407(3) 0.4796(2) 0.5941(2) 0.0254(9) Uani 1 1 d . U . . . O2_1 O 0.6030(3) 0.4924(2) 0.6965(2) 0.0252(9) Uani 1 1 d . U . . . O3_1 O 0.5510(3) 0.5808(2) 0.6246(2) 0.0287(9) Uani 1 1 d . U . . . O4_1 O 1.2409(3) 0.6104(2) 0.6645(3) 0.0439(13) Uani 1 1 d . U . . . O5_1 O 1.3057(3) 0.7033(2) 0.6886(3) 0.0365(11) Uani 1 1 d . U . . . O6_1 O 1.0964(3) 0.9023(2) 0.7044(3) 0.0351(11) Uani 1 1 d . U . . . O7_1 O 0.9725(3) 0.8827(2) 0.7562(2) 0.0293(10) Uani 1 1 d . U . . . C8_1 C 1.0626(4) 0.6614(3) 0.6806(3) 0.0318(14) Uani 1 1 d . U . . . H8_1 H 1.068752 0.616706 0.669825 0.038 Uiso 1 1 calc R U . . . C9_1 C 1.1417(4) 0.6995(3) 0.6886(3) 0.0293(13) Uani 1 1 d . U . . . C10_1 C 1.1350(4) 0.7643(3) 0.7029(3) 0.0273(12) Uani 1 1 d . U . . . H10_1 H 1.188780 0.790424 0.706916 0.033 Uiso 1 1 calc R U . . . C11_1 C 1.0483(4) 0.7915(3) 0.7116(3) 0.0258(12) Uani 1 1 d . U . . . C12_1 C 0.9696(4) 0.7541(3) 0.7062(3) 0.0277(12) Uani 1 1 d . U . . . H12_1 H 0.911258 0.772919 0.714682 0.033 Uiso 1 1 calc R U . . . C13_1 C 1.2356(4) 0.6691(3) 0.6807(3) 0.0308(13) Uani 1 1 d . U . . . C14_1 C 1.0404(4) 0.8626(3) 0.7252(3) 0.0242(11) Uani 1 1 d . U . . . C7_1 C 0.9747(4) 0.6881(3) 0.6881(3) 0.0293(13) Uani 1 1 d . U . . . P1_2 P 0.3689(2) 0.69626(13) 0.500000 0.0367(6) Uani 1 2 d S TU P C . C1_2 C 0.2674(8) 0.7478(6) 0.500000 0.047(2) Uani 1 2 d DS TU P . . C2_2 C 0.2004(12) 0.7428(10) 0.4560(8) 0.064(4) Uani 0.5 1 d D U P C -1 H2_2 H 0.207440 0.711055 0.426006 0.077 Uiso 0.5 1 calc R U P C -1 C3_2 C 0.1234(13) 0.7841(10) 0.4557(8) 0.065(4) Uani 0.5 1 d D U P C -1 H3_2 H 0.078978 0.780567 0.425390 0.078 Uiso 0.5 1 calc R U P C -1 C4_2 C 0.1119(9) 0.8307(7) 0.500000 0.059(3) Uani 1 2 d DS TU P . . C5_2 C 0.1720(10) 0.8301(9) 0.5482(6) 0.050(3) Uani 0.5 1 d D U P C -1 H5_2 H 0.160321 0.857934 0.580534 0.059 Uiso 0.5 1 calc R U P C -1 C6_2 C 0.2493(11) 0.7885(8) 0.5489(6) 0.045(3) Uani 0.5 1 d D U P C -1 H6_2 H 0.289085 0.787633 0.581826 0.054 Uiso 0.5 1 calc R U P C -1 O2_2 O 0.4521(7) 0.7407(5) 0.500000 0.064(3) Uani 1 2 d S TU P . . O3_2 O -0.0905(5) 0.9549(4) 0.3459(3) 0.0580(18) Uani 1 1 d . U . . . O4_2 O -0.2267(8) 0.9553(10) 0.3912(6) 0.077(5) Uani 0.61(2) 1 d D U P D 1 O4A_2 O -0.1952(18) 1.0021(13) 0.4014(9) 0.077(6) Uani 0.39(2) 1 d D U P D 2 C7_2 C 0.0293(10) 0.8744(7) 0.500000 0.053(3) Uani 1 2 d S TU P C . C8_2 C -0.0104(7) 0.8951(5) 0.4475(4) 0.057(2) Uani 1 1 d . U . . . H8_2 H 0.017568 0.883574 0.411439 0.068 Uiso 1 1 calc R U . C . C9_2 C -0.0919(7) 0.9329(6) 0.4479(4) 0.056(2) Uani 1 1 d . U . . . C11_2 C -0.1324(9) 0.9506(7) 0.500000 0.051(3) Uani 1 2 d S TU P . . H11_2 H -0.188235 0.974926 0.499999 0.061 Uiso 1 2 calc R U P . . C10_2 C -0.1354(7) 0.9540(6) 0.3917(5) 0.068(2) Uani 1 1 d D U . . . O1_2 O 0.3662(4) 0.6529(3) 0.5533(2) 0.0447(13) Uani 1 1 d . U . . . C1_3 C 0.4844(13) 0.7744(7) 0.6486(7) 0.072(3) Uani 0.697(11) 1 d D U P E 1 H1_3 H 0.420601 0.784065 0.652162 0.087 Uiso 0.697(11) 1 calc R U P E 1 O1_3 O 0.4977(10) 0.7184(5) 0.6452(5) 0.044(2) Uani 0.697(11) 1 d D U P E 1 N1_3 N 0.5341(13) 0.8270(7) 0.6487(8) 0.100(4) Uani 0.697(11) 1 d D U P E 1 C2_3 C 0.6258(16) 0.8179(12) 0.6465(12) 0.118(5) Uani 0.697(11) 1 d D U P E 1 H2A_3 H 0.656995 0.860416 0.646764 0.177 Uiso 0.697(11) 1 calc R U P E 1 H2B_3 H 0.645560 0.792230 0.680369 0.177 Uiso 0.697(11) 1 calc R U P E 1 H2C_3 H 0.641680 0.794295 0.610596 0.177 Uiso 0.697(11) 1 calc R U P E 1 C3_3 C 0.514(2) 0.8904(10) 0.6623(14) 0.139(7) Uani 0.697(11) 1 d D U P E 1 H3A_3 H 0.569290 0.917450 0.657369 0.208 Uiso 0.697(11) 1 calc R U P E 1 H3B_3 H 0.465288 0.906454 0.636342 0.208 Uiso 0.697(11) 1 calc R U P E 1 H3C_3 H 0.493033 0.893006 0.702864 0.208 Uiso 0.697(11) 1 calc R U P E 1 C1_4 C 0.5496(19) 0.7415(15) 0.6052(14) 0.071(3) Uani 0.303(11) 1 d D U P E 2 H1_4 H 0.580545 0.707828 0.584354 0.086 Uiso 0.303(11) 1 calc R U P E 2 O1_4 O 0.491(3) 0.7198(13) 0.6326(16) 0.057(3) Uani 0.303(11) 1 d D U P E 2 N1_4 N 0.586(2) 0.7976(14) 0.5938(15) 0.099(4) Uani 0.303(11) 1 d D U P E 2 C2_4 C 0.653(3) 0.799(2) 0.552(2) 0.117(9) Uani 0.303(11) 1 d D U P E 2 H2A_4 H 0.675268 0.844145 0.547347 0.176 Uiso 0.303(11) 1 calc R U P E 2 H2B_4 H 0.704104 0.770755 0.563549 0.176 Uiso 0.303(11) 1 calc R U P E 2 H2C_4 H 0.627196 0.783789 0.514870 0.176 Uiso 0.303(11) 1 calc R U P E 2 C3_4 C 0.560(4) 0.8592(17) 0.609(3) 0.118(6) Uani 0.303(11) 1 d D U P E 2 H3A_4 H 0.604059 0.890996 0.593246 0.177 Uiso 0.303(11) 1 calc R U P E 2 H3B_4 H 0.498577 0.868198 0.594076 0.177 Uiso 0.303(11) 1 calc R U P E 2 H3C_4 H 0.559668 0.862773 0.652016 0.177 Uiso 0.303(11) 1 calc R U P E 2 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 Eu1 0.01447(16) 0.01486(16) 0.0385(2) -0.00166(11) -0.00260(11) 0.00197(10) Eu2 0.0219(2) 0.0180(2) 0.0293(2) 0.000 0.000 0.00478(15) Eu3 0.025 0.013 0.022 0.000 0.000 -0.001 O1W 0.115(13) 0.035(10) 0.017(6) 0.000(15) 0.000(15) -0.013(10) O2WS 0.011(9) 0.032(11) 0.016(9) 0.011(9) -0.004(8) 0.005(9) O3WS 0.032(10) 0.044(10) 0.027(8) 0.00(2) 0.00(2) 0.007(8) Eu3A 0.025 0.013 0.022 0.000 0.000 -0.001 O1WA 0.115(13) 0.035(10) 0.017(6) 0.000(15) 0.000(15) -0.013(10) O2WA 0.033(14) 0.013(11) 0.023(12) 0.00(3) 0.00(3) 0.012(11) O3WA 0.036(9) 0.025(8) 0.015(8) 0.002(9) -0.001(9) -0.010(7) P1_1 0.0124(6) 0.0129(6) 0.0375(8) 0.0015(5) 0.0032(5) 0.0003(5) C1_1 0.013(2) 0.020(2) 0.047(3) -0.001(2) 0.002(2) -0.004(2) C2_1 0.021(4) 0.021(4) 0.066(6) 0.000(4) -0.005(4) 0.000(3) C3_1 0.020(4) 0.019(4) 0.068(6) 0.002(4) -0.007(4) 0.001(3) C4_1 0.019(2) 0.022(3) 0.058(4) -0.007(3) 0.000(3) -0.002(2) C5_1 0.018(4) 0.018(4) 0.060(6) 0.002(4) 0.002(4) -0.004(3) C6_1 0.016(4) 0.021(4) 0.058(6) 0.002(4) 0.000(4) -0.001(3) C2A_1 0.022(4) 0.024(5) 0.065(6) -0.010(5) -0.002(5) -0.001(4) C3A_1 0.025(4) 0.026(5) 0.070(6) -0.006(5) -0.003(5) 0.002(4) C5A_1 0.020(4) 0.023(4) 0.060(6) -0.006(5) 0.006(5) -0.001(4) C6A_1 0.015(4) 0.026(4) 0.057(6) -0.004(5) 0.006(5) -0.002(4) O1_1 0.025(2) 0.0151(18) 0.037(2) -0.0014(17) 0.0032(18) -0.0030(16) O2_1 0.0139(18) 0.021(2) 0.041(2) 0.0003(18) 0.0014(17) -0.0022(15) O3_1 0.0190(19) 0.0152(18) 0.052(3) 0.0061(18) 0.0003(19) 0.0041(16) O4_1 0.019(2) 0.021(2) 0.091(4) -0.014(3) 0.008(2) -0.0005(18) O5_1 0.019(2) 0.023(2) 0.068(3) -0.014(2) -0.005(2) 0.0009(17) O6_1 0.028(2) 0.023(2) 0.054(3) -0.001(2) 0.009(2) 0.0005(18) O7_1 0.026(2) 0.020(2) 0.042(3) -0.0077(18) 0.0083(19) 0.0021(17) C8_1 0.020(3) 0.016(2) 0.059(4) -0.013(3) 0.001(3) 0.001(2) C9_1 0.015(2) 0.019(3) 0.054(3) -0.007(2) 0.001(2) 0.001(2) C10_1 0.019(3) 0.017(3) 0.046(3) -0.008(2) 0.001(2) -0.002(2) C11_1 0.021(2) 0.015(2) 0.042(3) -0.008(2) 0.003(2) 0.002(2) C12_1 0.016(2) 0.020(3) 0.048(3) -0.011(2) 0.005(2) -0.003(2) C13_1 0.015(2) 0.021(3) 0.057(4) -0.007(3) 0.001(2) 0.002(2) C14_1 0.019(2) 0.017(2) 0.037(3) -0.006(2) 0.001(2) 0.002(2) C7_1 0.015(2) 0.018(2) 0.055(3) -0.012(2) 0.001(2) -0.003(2) P1_2 0.0388(13) 0.0294(12) 0.0421(14) 0.000 0.000 0.0034(10) C1_2 0.048(5) 0.050(5) 0.042(4) 0.000 0.000 0.012(4) C2_2 0.065(7) 0.074(7) 0.053(7) -0.010(6) -0.006(6) 0.018(7) C3_2 0.067(7) 0.075(8) 0.053(7) -0.005(6) -0.005(6) 0.022(7) C4_2 0.059(5) 0.068(6) 0.049(5) 0.000 0.000 0.026(5) C5_2 0.048(6) 0.060(7) 0.040(6) -0.007(5) -0.006(5) 0.022(6) C6_2 0.046(6) 0.050(6) 0.038(6) -0.010(5) -0.005(5) 0.018(6) O2_2 0.056(5) 0.049(5) 0.088(7) 0.000 0.000 -0.008(4) O3_2 0.062(4) 0.058(4) 0.054(3) 0.025(3) 0.025(3) 0.019(3) O4_2 0.045(6) 0.122(11) 0.063(7) 0.021(8) -0.001(5) 0.016(7) O4A_2 0.071(10) 0.094(12) 0.066(9) 0.031(10) 0.011(9) 0.046(9) C7_2 0.050(5) 0.066(6) 0.042(5) 0.000 0.000 0.026(5) C8_2 0.056(5) 0.070(5) 0.044(4) 0.008(4) 0.008(4) 0.018(4) C9_2 0.049(4) 0.071(5) 0.049(4) 0.017(4) 0.002(3) 0.015(4) C11_2 0.045(6) 0.062(6) 0.047(6) 0.000 0.000 0.011(5) C10_2 0.056(4) 0.089(5) 0.058(4) 0.028(4) 0.015(4) 0.029(4) O1_2 0.048(3) 0.046(3) 0.040(3) 0.003(2) 0.000(2) 0.012(3) C1_3 0.074(5) 0.046(4) 0.097(6) 0.004(5) 0.000(5) 0.000(4) O1_3 0.041(3) 0.032(3) 0.060(4) 0.003(3) 0.005(3) -0.003(3) N1_3 0.105(7) 0.060(5) 0.136(8) 0.009(6) 0.010(7) -0.014(5) C2_3 0.103(8) 0.097(10) 0.155(13) 0.026(10) -0.001(10) -0.019(8) C3_3 0.155(14) 0.077(8) 0.183(15) -0.009(11) 0.008(13) -0.002(10) C1_4 0.068(6) 0.056(5) 0.090(6) 0.002(5) 0.008(5) -0.006(5) O1_4 0.056(5) 0.044(4) 0.069(5) -0.001(4) 0.003(4) -0.002(4) N1_4 0.099(8) 0.070(6) 0.127(9) 0.009(7) 0.012(7) -0.020(6) C2_4 0.110(17) 0.101(17) 0.142(18) 0.017(16) 0.024(13) -0.019(15) C3_4 0.124(12) 0.077(8) 0.153(13) 0.004(10) 0.008(11) -0.011(10) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Eu Eu -2.6997 10.5010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.2543 0.3332 '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' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O3_1 Eu1 O1_2 97.22(19) . . ? O3_1 Eu1 O1_4 78.7(11) . . ? O1_2 Eu1 O1_4 75.9(9) . . ? O3_1 Eu1 O1_3 77.9(4) . . ? O1_2 Eu1 O1_3 83.2(3) . . ? O3_1 Eu1 O7_1 80.87(18) . 4_466 ? O1_2 Eu1 O7_1 162.78(19) . 4_466 ? O1_3 Eu1 O7_1 79.7(3) . 4_466 ? O3_1 Eu1 O5_1 151.53(16) . 1_455 ? O1_2 Eu1 O5_1 90.2(2) . 1_455 ? O1_3 Eu1 O5_1 75.7(4) . 1_455 ? O7_1 Eu1 O5_1 84.02(17) 4_466 1_455 ? O3_1 Eu1 O4_1 154.63(15) . 1_455 ? O1_2 Eu1 O4_1 85.5(2) . 1_455 ? O1_3 Eu1 O4_1 127.4(4) . 1_455 ? O7_1 Eu1 O4_1 103.6(2) 4_466 1_455 ? O5_1 Eu1 O4_1 53.08(15) 1_455 1_455 ? O3_1 Eu1 O1_1 81.87(15) . 2_665 ? O1_2 Eu1 O1_1 73.28(18) . 2_665 ? O1_3 Eu1 O1_1 146.6(3) . 2_665 ? O7_1 Eu1 O1_1 122.95(14) 4_466 2_665 ? O5_1 Eu1 O1_1 126.51(15) 1_455 2_665 ? O4_1 Eu1 O1_1 74.75(16) 1_455 2_665 ? O3_1 Eu1 O2_1 80.76(14) . 2_665 ? O1_2 Eu1 O2_1 130.61(18) . 2_665 ? O1_3 Eu1 O2_1 142.1(3) . 2_665 ? O7_1 Eu1 O2_1 66.22(14) 4_466 2_665 ? O5_1 Eu1 O2_1 114.69(17) 1_455 2_665 ? O4_1 Eu1 O2_1 78.48(16) 1_455 2_665 ? O1_1 Eu1 O2_1 57.50(15) 2_665 2_665 ? O3_1 Eu1 C13_1 176.9(2) . 1_455 ? O1_2 Eu1 C13_1 85.5(2) . 1_455 ? O1_3 Eu1 C13_1 101.0(4) . 1_455 ? O7_1 Eu1 C13_1 96.1(2) 4_466 1_455 ? O5_1 Eu1 C13_1 26.46(17) 1_455 1_455 ? O4_1 Eu1 C13_1 26.76(16) 1_455 1_455 ? O1_1 Eu1 C13_1 100.39(17) 2_665 1_455 ? O2_1 Eu1 C13_1 98.58(17) 2_665 1_455 ? O3_1 Eu1 P1_1 77.30(11) . 2_665 ? O1_2 Eu1 P1_1 101.82(15) . 2_665 ? O1_3 Eu1 P1_1 155.1(4) . 2_665 ? O7_1 Eu1 P1_1 94.49(11) 4_466 2_665 ? O5_1 Eu1 P1_1 128.07(12) 1_455 2_665 ? O4_1 Eu1 P1_1 77.46(11) 1_455 2_665 ? O1_1 Eu1 P1_1 28.55(11) 2_665 2_665 ? O2_1 Eu1 P1_1 29.20(11) 2_665 2_665 ? C13_1 Eu1 P1_1 103.63(13) 1_455 2_665 ? O3_1 Eu1 Eu2 69.45(12) . 7_676 ? O1_2 Eu1 Eu2 157.98(14) . 7_676 ? O1_3 Eu1 Eu2 109.8(3) . 7_676 ? O7_1 Eu1 Eu2 35.98(10) 4_466 7_676 ? O5_1 Eu1 Eu2 109.97(14) 1_455 7_676 ? O4_1 Eu1 Eu2 99.31(16) 1_455 7_676 ? O1_1 Eu1 Eu2 87.16(10) 2_665 7_676 ? O2_1 Eu1 Eu2 32.66(10) 2_665 7_676 ? C13_1 Eu1 Eu2 108.38(16) 1_455 7_676 ? P1_1 Eu1 Eu2 58.98(3) 2_665 7_676 ? O3_2 Eu2 O3_2 89.2(4) . 2_575 ? O3_2 Eu2 O2_1 98.8(2) . 8_665 ? O3_2 Eu2 O2_1 160.0(2) 2_575 8_665 ? O3_2 Eu2 O2_1 160.0(2) . 7_575 ? O3_2 Eu2 O2_1 98.8(2) 2_575 7_575 ? O2_1 Eu2 O2_1 79.8(2) 8_665 7_575 ? O3_2 Eu2 O6_1 82.2(2) . 5_676 ? O3_2 Eu2 O6_1 82.1(2) 2_575 5_676 ? O2_1 Eu2 O6_1 80.83(17) 8_665 5_676 ? O2_1 Eu2 O6_1 116.90(16) 7_575 5_676 ? O3_2 Eu2 O6_1 82.1(2) . 6_456 ? O3_2 Eu2 O6_1 82.2(2) 2_575 6_456 ? O2_1 Eu2 O6_1 116.90(16) 8_665 6_456 ? O2_1 Eu2 O6_1 80.83(17) 7_575 6_456 ? O6_1 Eu2 O6_1 158.0(3) 5_676 6_456 ? O3_2 Eu2 O7_1 74.2(2) . 6_456 ? O3_2 Eu2 O7_1 132.3(2) 2_575 6_456 ? O2_1 Eu2 O7_1 67.69(15) 8_665 6_456 ? O2_1 Eu2 O7_1 87.02(16) 7_575 6_456 ? O6_1 Eu2 O7_1 136.52(16) 5_676 6_456 ? O6_1 Eu2 O7_1 51.82(15) 6_456 6_456 ? O3_2 Eu2 O7_1 132.3(2) . 5_676 ? O3_2 Eu2 O7_1 74.2(2) 2_575 5_676 ? O2_1 Eu2 O7_1 87.02(16) 8_665 5_676 ? O2_1 Eu2 O7_1 67.69(15) 7_575 5_676 ? O6_1 Eu2 O7_1 51.82(15) 5_676 5_676 ? O6_1 Eu2 O7_1 136.52(16) 6_456 5_676 ? O7_1 Eu2 O7_1 147.3(2) 6_456 5_676 ? O3_2 Eu2 C14_1 73.9(2) . 6_456 ? O3_2 Eu2 C14_1 106.2(2) 2_575 6_456 ? O2_1 Eu2 C14_1 93.68(16) 8_665 6_456 ? O2_1 Eu2 C14_1 86.20(16) 7_575 6_456 ? O6_1 Eu2 C14_1 154.46(17) 5_676 6_456 ? O6_1 Eu2 C14_1 25.61(17) 6_456 6_456 ? O7_1 Eu2 C14_1 26.54(16) 6_456 6_456 ? O7_1 Eu2 C14_1 153.36(16) 5_676 6_456 ? O3_2 Eu2 C14_1 106.2(2) . 5_676 ? O3_2 Eu2 C14_1 73.9(2) 2_575 5_676 ? O2_1 Eu2 C14_1 86.20(16) 8_665 5_676 ? O2_1 Eu2 C14_1 93.68(16) 7_575 5_676 ? O6_1 Eu2 C14_1 25.61(17) 5_676 5_676 ? O6_1 Eu2 C14_1 154.46(17) 6_456 5_676 ? O7_1 Eu2 C14_1 153.36(16) 6_456 5_676 ? O7_1 Eu2 C14_1 26.54(16) 5_676 5_676 ? C14_1 Eu2 C14_1 179.8(3) 6_456 5_676 ? O3_2 Eu2 Eu1 94.5(2) . 7_575 ? O3_2 Eu2 Eu1 161.85(16) 2_575 7_575 ? O2_1 Eu2 Eu1 36.17(10) 8_665 7_575 ? O2_1 Eu2 Eu1 72.40(11) 7_575 7_575 ? O6_1 Eu2 Eu1 115.94(13) 5_676 7_575 ? O6_1 Eu2 Eu1 80.73(12) 6_456 7_575 ? O7_1 Eu2 Eu1 34.01(11) 6_456 7_575 ? O7_1 Eu2 Eu1 114.96(12) 5_676 7_575 ? C14_1 Eu2 Eu1 58.30(13) 6_456 7_575 ? C14_1 Eu2 Eu1 121.57(13) 5_676 7_575 ? O3_2 Eu2 Eu1 161.85(16) . 8_665 ? O3_2 Eu2 Eu1 94.5(2) 2_575 8_665 ? O2_1 Eu2 Eu1 72.40(11) 8_665 8_665 ? O2_1 Eu2 Eu1 36.17(10) 7_575 8_665 ? O6_1 Eu2 Eu1 80.73(12) 5_676 8_665 ? O6_1 Eu2 Eu1 115.94(13) 6_456 8_665 ? O7_1 Eu2 Eu1 114.96(12) 6_456 8_665 ? O7_1 Eu2 Eu1 34.01(11) 5_676 8_665 ? C14_1 Eu2 Eu1 121.57(13) 6_456 8_665 ? C14_1 Eu2 Eu1 58.30(13) 5_676 8_665 ? Eu1 Eu2 Eu1 87.367(12) 7_575 8_665 ? O1_1 Eu3 O1W 79.34(10) . . ? O1_1 Eu3 O3WS 72.01(11) . . ? O1W Eu3 O3WS 84.6 . . ? O1_1 Eu3 O2WS 76.44(11) . . ? O1W Eu3 O2WS 95.8 . . ? O3WS Eu3 O2WS 147.8 . . ? O1_1 Eu3A O3WA 87.72(11) . . ? O1_1 Eu3A O2WA 95.31(11) . . ? O3WA Eu3A O2WA 161.362(1) . . ? O1_1 Eu3A O1WA 79.96(11) . . ? O3WA Eu3A O1WA 85.248(1) . . ? O2WA Eu3A O1WA 113.4 . . ? O1_1 Eu3A P1_1 15.09(11) . . ? O3WA Eu3A P1_1 93.99(2) . . ? O2WA Eu3A P1_1 93.55(2) . . ? O1WA Eu3A P1_1 66.88(2) . . ? O3_1 P1_1 O1_1 113.4(3) . . ? O3_1 P1_1 O2_1 113.8(3) . . ? O1_1 P1_1 O2_1 104.4(2) . . ? O3_1 P1_1 C1_1 107.2(2) . . ? O1_1 P1_1 C1_1 110.1(3) . . ? O2_1 P1_1 C1_1 107.9(3) . . ? O3_1 P1_1 Eu1 124.12(18) . 2_665 ? O1_1 P1_1 Eu1 50.69(17) . 2_665 ? O2_1 P1_1 Eu1 54.27(17) . 2_665 ? C1_1 P1_1 Eu1 128.65(18) . 2_665 ? O3_1 P1_1 Eu3A 93.8(2) . . ? O1_1 P1_1 Eu3A 21.96(17) . . ? O2_1 P1_1 Eu3A 123.50(18) . . ? C1_1 P1_1 Eu3A 109.2(2) . . ? Eu1 P1_1 Eu3A 69.32(3) 2_665 . ? C6A_1 C1_1 C2A_1 118.7(9) . . ? C2_1 C1_1 C6_1 120.0 . . ? C6A_1 C1_1 P1_1 119.5(7) . . ? C2A_1 C1_1 P1_1 121.7(7) . . ? C2_1 C1_1 P1_1 120.9(3) . . ? C6_1 C1_1 P1_1 119.1(3) . . ? C3_1 C2_1 C1_1 120.0 . . ? C3_1 C2_1 H2_1 120.0 . . ? C1_1 C2_1 H2_1 120.0 . . ? C2_1 C3_1 C4_1 120.0 . . ? C2_1 C3_1 H3_1 120.0 . . ? C4_1 C3_1 H3_1 120.0 . . ? C5_1 C4_1 C3_1 120.0 . . ? C5A_1 C4_1 C3A_1 119.8(9) . . ? C5A_1 C4_1 C7_1 120.3(8) . . ? C5_1 C4_1 C7_1 119.7(4) . . ? C3_1 C4_1 C7_1 120.3(4) . . ? C3A_1 C4_1 C7_1 119.8(7) . . ? C6_1 C5_1 C4_1 120.0 . . ? C6_1 C5_1 H5_1 120.0 . . ? C4_1 C5_1 H5_1 120.0 . . ? C5_1 C6_1 C1_1 120.0 . . ? C5_1 C6_1 H6_1 120.0 . . ? C1_1 C6_1 H6_1 120.0 . . ? C1_1 C2A_1 C3A_1 121.1(13) . . ? C1_1 C2A_1 H2A_1 119.4 . . ? C3A_1 C2A_1 H2A_1 119.4 . . ? C2A_1 C3A_1 C4_1 118.7(13) . . ? C2A_1 C3A_1 H3A_1 120.6 . . ? C4_1 C3A_1 H3A_1 120.6 . . ? C4_1 C5A_1 C6A_1 119.9(12) . . ? C4_1 C5A_1 H5A_1 120.1 . . ? C6A_1 C5A_1 H5A_1 120.1 . . ? C1_1 C6A_1 C5A_1 121.3(12) . . ? C1_1 C6A_1 H6A_1 119.4 . . ? C5A_1 C6A_1 H6A_1 119.4 . . ? P1_1 O1_1 Eu3A 142.9(3) . . ? P1_1 O1_1 Eu3 148.4(3) . . ? P1_1 O1_1 Eu1 100.8(2) . 2_665 ? Eu3 O1_1 Eu1 110.76(16) . 2_665 ? P1_1 O2_1 Eu2 137.1(2) . 7_676 ? P1_1 O2_1 Eu1 96.5(2) . 2_665 ? Eu2 O2_1 Eu1 111.18(16) 7_676 2_665 ? P1_1 O3_1 Eu1 145.1(3) . . ? C13_1 O4_1 Eu1 91.8(4) . 1_655 ? C13_1 O5_1 Eu1 92.6(4) . 1_655 ? C14_1 O6_1 Eu2 94.7(4) . 5_676 ? C14_1 O7_1 Eu1 143.4(4) . 4_566 ? C14_1 O7_1 Eu2 91.6(4) . 5_676 ? Eu1 O7_1 Eu2 110.01(16) 4_566 5_676 ? C7_1 C8_1 C9_1 121.0(6) . . ? C7_1 C8_1 H8_1 119.5 . . ? C9_1 C8_1 H8_1 119.5 . . ? C10_1 C9_1 C8_1 120.8(6) . . ? C10_1 C9_1 C13_1 119.4(5) . . ? C8_1 C9_1 C13_1 119.8(5) . . ? C9_1 C10_1 C11_1 119.0(6) . . ? C9_1 C10_1 H10_1 120.5 . . ? C11_1 C10_1 H10_1 120.5 . . ? C12_1 C11_1 C10_1 121.1(5) . . ? C12_1 C11_1 C14_1 119.7(5) . . ? C10_1 C11_1 C14_1 119.2(5) . . ? C11_1 C12_1 C7_1 120.7(6) . . ? C11_1 C12_1 H12_1 119.6 . . ? C7_1 C12_1 H12_1 119.6 . . ? O5_1 C13_1 O4_1 121.8(6) . . ? O5_1 C13_1 C9_1 119.3(5) . . ? O4_1 C13_1 C9_1 118.9(5) . . ? O5_1 C13_1 Eu1 60.9(3) . 1_655 ? O4_1 C13_1 Eu1 61.4(3) . 1_655 ? C9_1 C13_1 Eu1 170.6(6) . 1_655 ? O6_1 C14_1 O7_1 120.4(6) . . ? O6_1 C14_1 C11_1 120.3(6) . . ? O7_1 C14_1 C11_1 119.2(5) . . ? O6_1 C14_1 Eu2 59.7(3) . 5_676 ? O7_1 C14_1 Eu2 61.9(3) . 5_676 ? C11_1 C14_1 Eu2 165.8(5) . 5_676 ? C8_1 C7_1 C12_1 117.2(5) . . ? C8_1 C7_1 C4_1 121.8(5) . . ? C12_1 C7_1 C4_1 121.0(5) . . ? O1_2 P1_2 O2_2 111.9(3) 6_556 . ? O1_2 P1_2 O1_2 108.1(5) 6_556 . ? O2_2 P1_2 O1_2 111.9(3) . . ? O1_2 P1_2 C1_2 108.7(3) 6_556 . ? O2_2 P1_2 C1_2 107.5(6) . . ? O1_2 P1_2 C1_2 108.7(3) . . ? C2_2 C1_2 C6_2 118.8(10) . . ? C2_2 C1_2 P1_2 121.4(8) . . ? C6_2 C1_2 P1_2 119.4(7) . . ? C3_2 C2_2 C1_2 120.8(12) . . ? C3_2 C2_2 H2_2 119.6 . . ? C1_2 C2_2 H2_2 119.6 . . ? C2_2 C3_2 C4_2 120.1(13) . . ? C2_2 C3_2 H3_2 120.0 . . ? C4_2 C3_2 H3_2 120.0 . . ? C3_2 C4_2 C5_2 119.2(11) . . ? C3_2 C4_2 C7_2 120.1(9) . . ? C5_2 C4_2 C7_2 120.2(8) . . ? C6_2 C5_2 C4_2 120.6(11) . . ? C6_2 C5_2 H5_2 119.7 . . ? C4_2 C5_2 H5_2 119.7 . . ? C5_2 C6_2 C1_2 119.4(11) . . ? C5_2 C6_2 H6_2 120.3 . . ? C1_2 C6_2 H6_2 120.3 . . ? C10_2 O3_2 Eu2 156.0(8) . . ? C8_2 C7_2 C8_2 118.6(12) 6_556 . ? C8_2 C7_2 C4_2 120.7(6) 6_556 . ? C8_2 C7_2 C4_2 120.7(6) . . ? C7_2 C8_2 C9_2 120.3(9) . . ? C7_2 C8_2 H8_2 119.9 . . ? C9_2 C8_2 H8_2 119.9 . . ? C11_2 C9_2 C8_2 120.4(9) . . ? C11_2 C9_2 C10_2 119.3(9) . . ? C8_2 C9_2 C10_2 120.3(9) . . ? C9_2 C11_2 C9_2 119.9(12) . 6_556 ? C9_2 C11_2 H11_2 120.0 . . ? C9_2 C11_2 H11_2 120.0 6_556 . ? O3_2 C10_2 O4_2 121.4(11) . . ? O3_2 C10_2 O4A_2 118.5(12) . . ? O3_2 C10_2 C9_2 120.8(9) . . ? O4_2 C10_2 C9_2 115.7(10) . . ? O4A_2 C10_2 C9_2 110.1(13) . . ? P1_2 O1_2 Eu1 155.5(4) . . ? O1_3 C1_3 N1_3 136.4(19) . . ? O1_3 C1_3 H1_3 111.8 . . ? N1_3 C1_3 H1_3 111.8 . . ? C1_3 O1_3 Eu1 137.0(14) . . ? C1_3 N1_3 C2_3 115.9(17) . . ? C1_3 N1_3 C3_3 132(2) . . ? C2_3 N1_3 C3_3 111(2) . . ? N1_3 C2_3 H2A_3 109.5 . . ? N1_3 C2_3 H2B_3 109.5 . . ? H2A_3 C2_3 H2B_3 109.5 . . ? N1_3 C2_3 H2C_3 109.5 . . ? H2A_3 C2_3 H2C_3 109.5 . . ? H2B_3 C2_3 H2C_3 109.5 . . ? N1_3 C3_3 H3A_3 109.5 . . ? N1_3 C3_3 H3B_3 109.5 . . ? H3A_3 C3_3 H3B_3 109.5 . . ? N1_3 C3_3 H3C_3 109.5 . . ? H3A_3 C3_3 H3C_3 109.5 . . ? H3B_3 C3_3 H3C_3 109.5 . . ? O1_4 C1_4 N1_4 140(3) . . ? O1_4 C1_4 H1_4 110.2 . . ? N1_4 C1_4 H1_4 110.2 . . ? C1_4 O1_4 Eu1 141(3) . . ? C1_4 N1_4 C2_4 117(3) . . ? C1_4 N1_4 C3_4 131(3) . . ? C2_4 N1_4 C3_4 111(3) . . ? N1_4 C2_4 H2A_4 109.5 . . ? N1_4 C2_4 H2B_4 109.5 . . ? H2A_4 C2_4 H2B_4 109.5 . . ? N1_4 C2_4 H2C_4 109.5 . . ? H2A_4 C2_4 H2C_4 109.5 . . ? H2B_4 C2_4 H2C_4 109.5 . . ? N1_4 C3_4 H3A_4 109.5 . . ? N1_4 C3_4 H3B_4 109.5 . . ? H3A_4 C3_4 H3B_4 109.5 . . ? N1_4 C3_4 H3C_4 109.5 . . ? H3A_4 C3_4 H3C_4 109.5 . . ? H3B_4 C3_4 H3C_4 109.5 . . ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Eu1 O3_1 2.294(4) . ? Eu1 O1_2 2.329(6) . ? Eu1 O1_4 2.399(10) . ? Eu1 O1_3 2.403(7) . ? Eu1 O7_1 2.410(5) 4_466 ? Eu1 O5_1 2.444(5) 1_455 ? Eu1 O4_1 2.454(5) 1_455 ? Eu1 O1_1 2.470(4) 2_665 ? Eu1 O2_1 2.563(4) 2_665 ? Eu1 C13_1 2.793(6) 1_455 ? Eu1 P1_1 3.1362(14) 2_665 ? Eu1 Eu2 4.0489(5) 7_676 ? Eu2 O3_2 2.285(6) . ? Eu2 O3_2 2.285(6) 2_575 ? Eu2 O2_1 2.343(4) 8_665 ? Eu2 O2_1 2.343(4) 7_575 ? Eu2 O6_1 2.484(5) 5_676 ? Eu2 O6_1 2.484(5) 6_456 ? Eu2 O7_1 2.532(4) 6_456 ? Eu2 O7_1 2.532(4) 5_676 ? Eu2 C14_1 2.868(6) 6_456 ? Eu2 C14_1 2.868(6) 5_676 ? Eu3 O1_1 2.300(5) . ? Eu3 O1W 2.4093 . ? Eu3 O3WS 2.4674 . ? Eu3 O2WS 2.5068 . ? Eu3A O1_1 2.192(5) . ? Eu3A O3WA 2.38237(9) . ? Eu3A O2WA 2.42621(8) . ? Eu3A O1WA 2.77755(11) . ? Eu3A P1_1 3.5310(16) . ? P1_1 O3_1 1.514(4) . ? P1_1 O1_1 1.526(5) . ? P1_1 O2_1 1.540(5) . ? P1_1 C1_1 1.816(4) . ? C1_1 C6A_1 1.372(14) . ? C1_1 C2A_1 1.374(14) . ? C1_1 C2_1 1.3900 . ? C1_1 C6_1 1.3900 . ? C2_1 C3_1 1.3900 . ? C2_1 H2_1 0.9500 . ? C3_1 C4_1 1.3900 . ? C3_1 H3_1 0.9500 . ? C4_1 C5A_1 1.371(13) . ? C4_1 C5_1 1.3900 . ? C4_1 C3A_1 1.402(14) . ? C4_1 C7_1 1.502(7) . ? C5_1 C6_1 1.3900 . ? C5_1 H5_1 0.9500 . ? C6_1 H6_1 0.9500 . ? C2A_1 C3A_1 1.394(15) . ? C2A_1 H2A_1 0.9500 . ? C3A_1 H3A_1 0.9500 . ? C5A_1 C6A_1 1.382(15) . ? C5A_1 H5A_1 0.9500 . ? C6A_1 H6A_1 0.9500 . ? O4_1 C13_1 1.258(8) . ? O5_1 C13_1 1.246(8) . ? O6_1 C14_1 1.244(8) . ? O7_1 C14_1 1.282(7) . ? C8_1 C7_1 1.398(8) . ? C8_1 C9_1 1.399(8) . ? C8_1 H8_1 0.9500 . ? C9_1 C10_1 1.368(8) . ? C9_1 C13_1 1.509(8) . ? C10_1 C11_1 1.389(8) . ? C10_1 H10_1 0.9500 . ? C11_1 C12_1 1.380(8) . ? C11_1 C14_1 1.490(8) . ? C12_1 C7_1 1.412(8) . ? C12_1 H12_1 0.9500 . ? P1_2 O1_2 1.510(6) 6_556 ? P1_2 O2_2 1.510(10) . ? P1_2 O1_2 1.510(6) . ? P1_2 C1_2 1.811(11) . ? C1_2 C2_2 1.405(13) . ? C1_2 C6_2 1.419(11) . ? C2_2 C3_2 1.400(14) . ? C2_2 H2_2 0.9500 . ? C3_2 C4_2 1.402(13) . ? C3_2 H3_2 0.9500 . ? C4_2 C5_2 1.408(12) . ? C4_2 C7_2 1.495(17) . ? C5_2 C6_2 1.408(13) . ? C5_2 H5_2 0.9500 . ? C6_2 H6_2 0.9500 . ? O3_2 C10_2 1.235(11) . ? O4_2 C10_2 1.326(14) . ? O4A_2 C10_2 1.329(17) . ? C7_2 C8_2 1.399(11) 6_556 ? C7_2 C8_2 1.399(11) . ? C8_2 C9_2 1.413(13) . ? C8_2 H8_2 0.9500 . ? C9_2 C11_2 1.380(12) . ? C9_2 C10_2 1.498(14) . ? C11_2 H11_2 0.9500 . ? C1_3 O1_3 1.16(2) . ? C1_3 N1_3 1.29(2) . ? C1_3 H1_3 0.9500 . ? N1_3 C2_3 1.34(2) . ? N1_3 C3_3 1.36(2) . ? C2_3 H2A_3 0.9800 . ? C2_3 H2B_3 0.9800 . ? C2_3 H2C_3 0.9800 . ? C3_3 H3A_3 0.9800 . ? C3_3 H3B_3 0.9800 . ? C3_3 H3C_3 0.9800 . ? C1_4 O1_4 1.15(3) . ? C1_4 N1_4 1.29(2) . ? C1_4 H1_4 0.9500 . ? N1_4 C2_4 1.36(2) . ? N1_4 C3_4 1.36(2) . ? C2_4 H2A_4 0.9800 . ? C2_4 H2B_4 0.9800 . ? C2_4 H2C_4 0.9800 . ? C3_4 H3A_4 0.9800 . ? C3_4 H3B_4 0.9800 . ? C3_4 H3C_4 0.9800 . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag O3_1 P1_1 C1_1 C6A_1 31.4(13) . . . . ? O1_1 P1_1 C1_1 C6A_1 155.2(12) . . . . ? O2_1 P1_1 C1_1 C6A_1 -91.5(12) . . . . ? Eu1 P1_1 C1_1 C6A_1 -149.7(12) 2_665 . . . ? Eu3A P1_1 C1_1 C6A_1 131.8(12) . . . . ? O3_1 P1_1 C1_1 C2A_1 -144.7(13) . . . . ? O1_1 P1_1 C1_1 C2A_1 -20.9(13) . . . . ? O2_1 P1_1 C1_1 C2A_1 92.4(13) . . . . ? Eu1 P1_1 C1_1 C2A_1 34.2(13) 2_665 . . . ? Eu3A P1_1 C1_1 C2A_1 -44.3(13) . . . . ? O3_1 P1_1 C1_1 C2_1 -176.8(6) . . . . ? O1_1 P1_1 C1_1 C2_1 -53.1(7) . . . . ? O2_1 P1_1 C1_1 C2_1 60.3(6) . . . . ? Eu1 P1_1 C1_1 C2_1 2.1(7) 2_665 . . . ? O3_1 P1_1 C1_1 C6_1 5.2(7) . . . . ? O1_1 P1_1 C1_1 C6_1 128.9(6) . . . . ? O2_1 P1_1 C1_1 C6_1 -117.8(6) . . . . ? Eu1 P1_1 C1_1 C6_1 -175.9(6) 2_665 . . . ? C6_1 C1_1 C2_1 C3_1 0.0 . . . . ? P1_1 C1_1 C2_1 C3_1 -178.0(4) . . . . ? C1_1 C2_1 C3_1 C4_1 0.0 . . . . ? C2_1 C3_1 C4_1 C5_1 0.0 . . . . ? C2_1 C3_1 C4_1 C7_1 -179.3(6) . . . . ? C3_1 C4_1 C5_1 C6_1 0.0 . . . . ? C7_1 C4_1 C5_1 C6_1 179.3(6) . . . . ? C4_1 C5_1 C6_1 C1_1 0.0 . . . . ? C2_1 C1_1 C6_1 C5_1 0.0 . . . . ? P1_1 C1_1 C6_1 C5_1 178.0(4) . . . . ? C6A_1 C1_1 C2A_1 C3A_1 4(3) . . . . ? P1_1 C1_1 C2A_1 C3A_1 -179.9(16) . . . . ? C1_1 C2A_1 C3A_1 C4_1 2(3) . . . . ? C5A_1 C4_1 C3A_1 C2A_1 -4(3) . . . . ? C7_1 C4_1 C3A_1 C2A_1 179.8(16) . . . . ? C3A_1 C4_1 C5A_1 C6A_1 0(2) . . . . ? C7_1 C4_1 C5A_1 C6A_1 176.1(15) . . . . ? C2A_1 C1_1 C6A_1 C5A_1 -8(3) . . . . ? P1_1 C1_1 C6A_1 C5A_1 175.5(15) . . . . ? C4_1 C5A_1 C6A_1 C1_1 6(3) . . . . ? O3_1 P1_1 O1_1 Eu3A 28.3(5) . . . . ? O2_1 P1_1 O1_1 Eu3A 152.6(4) . . . . ? C1_1 P1_1 O1_1 Eu3A -91.8(5) . . . . ? Eu1 P1_1 O1_1 Eu3A 144.1(5) 2_665 . . . ? O3_1 P1_1 O1_1 Eu3 61.0(6) . . . . ? O2_1 P1_1 O1_1 Eu3 -174.7(5) . . . . ? C1_1 P1_1 O1_1 Eu3 -59.1(6) . . . . ? Eu1 P1_1 O1_1 Eu3 176.8(6) 2_665 . . . ? O3_1 P1_1 O1_1 Eu1 -115.8(2) . . . 2_665 ? O2_1 P1_1 O1_1 Eu1 8.5(2) . . . 2_665 ? C1_1 P1_1 O1_1 Eu1 124.1(2) . . . 2_665 ? Eu3A P1_1 O1_1 Eu1 -144.1(5) . . . 2_665 ? O3_1 P1_1 O2_1 Eu2 -15.1(5) . . . 7_676 ? O1_1 P1_1 O2_1 Eu2 -139.1(3) . . . 7_676 ? C1_1 P1_1 O2_1 Eu2 103.8(4) . . . 7_676 ? Eu1 P1_1 O2_1 Eu2 -131.0(4) 2_665 . . 7_676 ? Eu3A P1_1 O2_1 Eu2 -127.2(3) . . . 7_676 ? O3_1 P1_1 O2_1 Eu1 116.0(2) . . . 2_665 ? O1_1 P1_1 O2_1 Eu1 -8.1(2) . . . 2_665 ? C1_1 P1_1 O2_1 Eu1 -125.2(2) . . . 2_665 ? Eu3A P1_1 O2_1 Eu1 3.8(2) . . . 2_665 ? O1_1 P1_1 O3_1 Eu1 113.9(5) . . . . ? O2_1 P1_1 O3_1 Eu1 -5.2(6) . . . . ? C1_1 P1_1 O3_1 Eu1 -124.4(5) . . . . ? Eu1 P1_1 O3_1 Eu1 56.6(6) 2_665 . . . ? Eu3A P1_1 O3_1 Eu1 124.1(5) . . . . ? C7_1 C8_1 C9_1 C10_1 -1.2(12) . . . . ? C7_1 C8_1 C9_1 C13_1 179.4(7) . . . . ? C8_1 C9_1 C10_1 C11_1 2.3(11) . . . . ? C13_1 C9_1 C10_1 C11_1 -178.3(7) . . . . ? C9_1 C10_1 C11_1 C12_1 0.2(11) . . . . ? C9_1 C10_1 C11_1 C14_1 -177.9(7) . . . . ? C10_1 C11_1 C12_1 C7_1 -3.9(11) . . . . ? C14_1 C11_1 C12_1 C7_1 174.2(7) . . . . ? Eu1 O5_1 C13_1 O4_1 8.5(8) 1_655 . . . ? Eu1 O5_1 C13_1 C9_1 -169.2(6) 1_655 . . . ? Eu1 O4_1 C13_1 O5_1 -8.5(8) 1_655 . . . ? Eu1 O4_1 C13_1 C9_1 169.2(6) 1_655 . . . ? C10_1 C9_1 C13_1 O5_1 1.4(11) . . . . ? C8_1 C9_1 C13_1 O5_1 -179.2(8) . . . . ? C10_1 C9_1 C13_1 O4_1 -176.3(8) . . . . ? C8_1 C9_1 C13_1 O4_1 3.1(12) . . . . ? Eu2 O6_1 C14_1 O7_1 -12.7(7) 5_676 . . . ? Eu2 O6_1 C14_1 C11_1 163.6(5) 5_676 . . . ? Eu1 O7_1 C14_1 O6_1 -115.2(7) 4_566 . . . ? Eu2 O7_1 C14_1 O6_1 12.4(7) 5_676 . . . ? Eu1 O7_1 C14_1 C11_1 68.5(9) 4_566 . . . ? Eu2 O7_1 C14_1 C11_1 -163.9(5) 5_676 . . . ? Eu1 O7_1 C14_1 Eu2 -127.6(7) 4_566 . . 5_676 ? C12_1 C11_1 C14_1 O6_1 -145.4(7) . . . . ? C10_1 C11_1 C14_1 O6_1 32.8(10) . . . . ? C12_1 C11_1 C14_1 O7_1 30.9(10) . . . . ? C10_1 C11_1 C14_1 O7_1 -150.9(7) . . . . ? C12_1 C11_1 C14_1 Eu2 -60(2) . . . 5_676 ? C10_1 C11_1 C14_1 Eu2 118.5(17) . . . 5_676 ? C9_1 C8_1 C7_1 C12_1 -2.3(12) . . . . ? C9_1 C8_1 C7_1 C4_1 176.5(7) . . . . ? C11_1 C12_1 C7_1 C8_1 4.8(11) . . . . ? C11_1 C12_1 C7_1 C4_1 -174.0(7) . . . . ? C5A_1 C4_1 C7_1 C8_1 173.8(14) . . . . ? C5_1 C4_1 C7_1 C8_1 -156.5(8) . . . . ? C3_1 C4_1 C7_1 C8_1 22.8(11) . . . . ? C3A_1 C4_1 C7_1 C8_1 -9.9(16) . . . . ? C5A_1 C4_1 C7_1 C12_1 -7.4(16) . . . . ? C5_1 C4_1 C7_1 C12_1 22.3(11) . . . . ? C3_1 C4_1 C7_1 C12_1 -158.4(8) . . . . ? C3A_1 C4_1 C7_1 C12_1 168.9(14) . . . . ? O1_2 P1_2 C1_2 C2_2 1.4(15) 6_556 . . . ? O2_2 P1_2 C1_2 C2_2 122.7(14) . . . . ? O1_2 P1_2 C1_2 C2_2 -116.0(14) . . . . ? O1_2 P1_2 C1_2 C6_2 173.7(11) 6_556 . . . ? O2_2 P1_2 C1_2 C6_2 -65.0(12) . . . . ? O1_2 P1_2 C1_2 C6_2 56.4(13) . . . . ? C6_2 C1_2 C2_2 C3_2 9(3) . . . . ? P1_2 C1_2 C2_2 C3_2 -178.4(18) . . . . ? C1_2 C2_2 C3_2 C4_2 -1(4) . . . . ? C2_2 C3_2 C4_2 C5_2 -8(3) . . . . ? C2_2 C3_2 C4_2 C7_2 -179.5(19) . . . . ? C3_2 C4_2 C5_2 C6_2 7(3) . . . . ? C7_2 C4_2 C5_2 C6_2 179.2(17) . . . . ? C4_2 C5_2 C6_2 C1_2 1(3) . . . . ? C2_2 C1_2 C6_2 C5_2 -9(3) . . . . ? P1_2 C1_2 C6_2 C5_2 178.0(15) . . . . ? C3_2 C4_2 C7_2 C8_2 146.6(17) . . . 6_556 ? C5_2 C4_2 C7_2 C8_2 -25(2) . . . 6_556 ? C3_2 C4_2 C7_2 C8_2 -33(2) . . . . ? C5_2 C4_2 C7_2 C8_2 155.5(16) . . . . ? C8_2 C7_2 C8_2 C9_2 -3(2) 6_556 . . . ? C4_2 C7_2 C8_2 C9_2 175.9(13) . . . . ? C7_2 C8_2 C9_2 C11_2 0.8(19) . . . . ? C7_2 C8_2 C9_2 C10_2 -178.9(12) . . . . ? C8_2 C9_2 C11_2 C9_2 2(2) . . . 6_556 ? C10_2 C9_2 C11_2 C9_2 -178.4(9) . . . 6_556 ? Eu2 O3_2 C10_2 O4_2 104(2) . . . . ? Eu2 O3_2 C10_2 O4A_2 48(3) . . . . ? Eu2 O3_2 C10_2 C9_2 -93.0(18) . . . . ? C11_2 C9_2 C10_2 O3_2 160.6(13) . . . . ? C8_2 C9_2 C10_2 O3_2 -19.7(18) . . . . ? C11_2 C9_2 C10_2 O4_2 -35.9(19) . . . . ? C8_2 C9_2 C10_2 O4_2 143.8(14) . . . . ? C11_2 C9_2 C10_2 O4A_2 16(2) . . . . ? C8_2 C9_2 C10_2 O4A_2 -163.8(17) . . . . ? O1_2 P1_2 O1_2 Eu1 139.8(6) 6_556 . . . ? O2_2 P1_2 O1_2 Eu1 16.2(10) . . . . ? C1_2 P1_2 O1_2 Eu1 -102.4(9) . . . . ? N1_3 C1_3 O1_3 Eu1 178.2(16) . . . . ? O1_3 C1_3 N1_3 C2_3 -3(3) . . . . ? O1_3 C1_3 N1_3 C3_3 -168(3) . . . . ? N1_4 C1_4 O1_4 Eu1 170(4) . . . . ? O1_4 C1_4 N1_4 C2_4 -174(4) . . . . ? O1_4 C1_4 N1_4 C3_4 -6(5) . . . . ?