#------------------------------------------------------------------------------ #$Date: 2020-10-06 14:23:33 +0300 (Tue, 06 Oct 2020) $ #$Revision: 258017 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/24/05/7240563.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_7240563 loop_ _publ_author_name 'Li, Ting' 'Cui, Xiaoqin' 'Liang, Linfeng' 'Luo, Cui' 'Li, Huan' 'Zhang, Xian-Ming' _publ_section_title ; A triflate and alkynyl protected Ag43 nanocluster with a passivated surface ; _journal_issue 33 _journal_name_full 'RSC Advances' _journal_page_first 19397 _journal_page_last 19400 _journal_paper_doi 10.1039/D0RA01244K _journal_volume 10 _journal_year 2020 _chemical_formula_moiety 'Ag43 C168 F12 O24 S8' _chemical_formula_sum 'C166 H0.5 Ag43 F24 O28 S8' _chemical_formula_weight 7793.05 _chemical_name_systematic Ag43 _space_group_crystal_system monoclinic _space_group_IT_number 12 _space_group_name_Hall '-I 2y' _space_group_name_H-M_alt 'I 1 2/m 1' _audit_block_doi 10.5517/ccdc.csd.cc24j11s _audit_creation_date 2020-02-01 _audit_creation_method ; Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506) ; _audit_update_record ; 2020-02-02 deposited with the CCDC. 2020-05-13 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 91.117(3) _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 19.8306(5) _cell_length_b 27.6106(10) _cell_length_c 20.8093(9) _cell_measurement_reflns_used 11221 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 74.0840 _cell_measurement_theta_min 4.2410 _cell_volume 11391.7(7) _computing_cell_refinement 'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)' _computing_data_collection 'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)' _computing_data_reduction 'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)' _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 0.995 _diffrn_measured_fraction_theta_max 0.944 _diffrn_measurement_device_type 'XtaLAB AFC12 (RINC): Kappa single' _diffrn_measurement_method '\w scans' _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54184 _diffrn_reflns_av_R_equivalents 0.0503 _diffrn_reflns_av_unetI/netI 0.0504 _diffrn_reflns_Laue_measured_fraction_full 0.995 _diffrn_reflns_Laue_measured_fraction_max 0.944 _diffrn_reflns_limit_h_max 25 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 34 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_limit_l_min -26 _diffrn_reflns_number 32060 _diffrn_reflns_point_group_measured_fraction_full 0.995 _diffrn_reflns_point_group_measured_fraction_max 0.944 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 79.920 _diffrn_reflns_theta_min 4.250 _diffrn_source 'fine-focus sealed X-ray tube' _exptl_absorpt_coefficient_mu 30.158 _exptl_absorpt_correction_T_max 1.0000 _exptl_absorpt_correction_T_min 0.58283 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_crystal_colour black _exptl_crystal_density_diffrn 2.272 _exptl_crystal_description block _exptl_crystal_F_000 7171 _exptl_crystal_size_max 1 _exptl_crystal_size_mid 1 _exptl_crystal_size_min 1 _refine_diff_density_max 2.051 _refine_diff_density_min -1.825 _refine_diff_density_rms 0.293 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.463 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 716 _refine_ls_number_reflns 12005 _refine_ls_number_restraints 306 _refine_ls_restrained_S_all 8.448 _refine_ls_R_factor_all 0.1479 _refine_ls_R_factor_gt 0.1218 _refine_ls_shift/su_max 7.277 _refine_ls_shift/su_mean 0.294 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.3819 _refine_ls_wR_factor_ref 0.4054 _reflns_Friedel_coverage 0.000 _reflns_number_gt 7816 _reflns_number_total 12005 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file d0ra01244k2.cif _cod_data_source_block Ag43 _cod_depositor_comments 'Adding full bibliography for 7240563.cif.' _cod_original_formula_sum 'C166 H0.50 Ag43 F24 O28 S8' _cod_database_code 7240563 _shelx_shelxl_version_number 2014/7 _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_max 0.014 _shelx_estimated_absorpt_t_min 0.014 _olex2_refinement_description ; 1. Restrained distances C0AA-C5AA 1.6 with sigma of 0.05 C35-C24 1.6 with sigma of 0.05 C31-C1BA 1.6 with sigma of 0.01 O33-S8 1.8 with sigma of 0.01 S8-O4 1.8 with sigma of 0.01 O51-S13 1.8 with sigma of 0.01 F31-F36 \\sim F31-F43 \\sim F36-F43 \\sim F31A-F36A \\sim F31A-F43A \\sim F36A-F43A with sigma of 0.04 C0BA-S8 \\sim C0BA-F31 \\sim C0BA-F36 \\sim C0BA-F43 \\sim C0BA-F31A \\sim C0BA-F36A \\sim C0BA-F43A with sigma of 0.02 C31-C36 \\sim C31-C55 with sigma of 0.02 C58-C62 \\sim C62A-C68A \\sim C62A-C58A with sigma of 0.04 C44-C00X \\sim C44-C58 \\sim C44-C62 \\sim C44-C68 \\sim C44-C62A \\sim C44-C68A \\sim C44-C58A with sigma of 0.02 C00L-C91 \\sim C00L-C6AA \\sim C00L-C22 \\sim C00L-C17 \\sim C00L-C6AB \\sim C00L-C17A \\sim C00L-C22A with sigma of 0.02 2. Rigid bond restraints All non-hydrogen atoms with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 3. Uiso/Uaniso restraints and constraints Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(O75) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(C9) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(C35) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(C7AA) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(C1BA) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C35) \\sim Ueq, Uanis(C24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(C31) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002 Uanis(O4) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of 0.0002 Uanis(C5) \\sim Ueq: with sigma of 0.0001 and sigma for terminal atoms of 0.0002 Uanis(O74) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 Uanis(O31) \\sim Ueq: with sigma of 0.00001 and sigma for terminal atoms of 0.00002 4. Rigid body (RIGU) restrains F31, F36, F43, C0BA, S8 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 F31A, F36A, F43A, C0BA, S8 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 S13 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 C58, C62, C68, C44, C00X with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 C62A, C68A, C58A, C44, C00X with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 C68, C6AA, C22, C17, C91, C00L with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 C6AB, C17A, C22A, C91, C00L with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004 5. Others Sof(F31A)=Sof(F36A)=Sof(F43A)=1-FVAR(1) Sof(F31)=Sof(F36)=Sof(F43)=FVAR(1) U33(F36A)=2.81162*FVAR(2) Sof(C62A)=Sof(C68A)=Sof(C58A)=1-FVAR(2) Sof(C58)=Sof(C62)=Sof(C68)=FVAR(2) Sof(C6AB)=Sof(C17A)=Sof(C22A)=1-FVAR(3) Sof(C6AA)=Sof(C22)=Sof(C17)=FVAR(3) Fixed Sof: C37(0.5) C4(0.5) ; _shelx_res_file ; ag43.res created by SHELXL-2014/7 TITL luocui(4fphcc)(dppp)-?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/ REM Old TITL luocui(4fphcc)(dppp)_a.res in I2/m REM SHELXT solution in I2/m REM R1 0.260, Rweak 0.015, Alpha 0.062, Orientation as input REM Formula found by SHELXT: Ag43 O22 C58 CELL 1.54184 19.8306 27.6106 20.8093 90 91.117 90 ZERR 2 0.0005 0.001 0.0009 0 0.003 0 LATT 2 SYMM -X,+Y,-Z SFAC Ag C F O S H UNIT 86 332 48 56 16 1 EQIV $1 +X,1-Y,+Z DFIX 1.6 0.05 C0AA C5AA DFIX 1.6 0.05 C35 C24 DFIX 1.6 0.01 C31 C1BA DFIX 1.8 0.01 O33 S8 DFIX 1.8 0.01 S8 O4 DFIX 1.8 0.01 O51 S13 SADI 0.04 F31 F36 F31 F43 F36 F43 F31A F36A F31A F43A F36A F43A SADI C0BA S8 C0BA F31 C0BA F36 C0BA F43 C0BA F31A C0BA F36A C0BA F43A SADI C31 C36 C31 C55 SADI 0.04 C58 C62 C62A C68A C62A C58A SADI C44 C00X C44 C58 C44 C62 C44 C68 C44 C62A C44 C68A C44 C58A SADI C00L C91 C00L C6AA C00L C22 C00L C17 C00L C6AB C00L C17A C00L C22A DELU RIGU F31 F36 F43 C0BA S8 RIGU F31A F36A F43A C0BA S8 RIGU S13 RIGU C58 C62 C68 C44 C00X RIGU C62A C68A C58A C44 C00X RIGU C68 C6AA C22 C17 C91 C00L RIGU C6AB C17A C22A C91 C00L ISOR 0.01 0.02 C2 ISOR 0.001 0.002 O75 ISOR 0.01 0.02 C9 ISOR 0.001 0.002 C11 ISOR 0.001 0.002 C35 ISOR 0.001 0.002 C7AA ISOR 0.01 0.02 C1BA ISOR 0.01 0.02 C35 C24 ISOR 0.001 0.002 C31 ISOR 0.0001 0.0002 O4 ISOR 0.0001 0.0002 C5 ISOR 0.01 0.02 O74 ISOR 0.00001 0.00002 O31 L.S. 20 0 0 PLAN 2 SIZE 1 1 1 FREE C62 C58 FREE C35 C35_$1 FREE C35 C2 FREE C35 C2AA_$1 FREE C35 C2AA FREE C40 C11 FREE C68A C62A FREE C62A C58A FREE C62A C00X FREE C6AB C17A FREE C6AB C22A FREE C22 C17 FREE C48 C48_$1 FREE C7 C5AA FREE C5 C11 FREE C2 C19_$1 FREE C2 C19 BIND Ag0D Ag0B FREE S8 F31 FREE F31 O4 FREE C91 C22 FREE C36 C1BA LIST 6 fmap 2 53 acta REM REM REM WGHT 0.200000 FVAR 0.08079 0.09646 0.45675 0.58698 AG01 1 0.500000 0.500000 0.500000 10.25000 0.03552 0.05687 = 0.07326 0.00000 -0.00746 0.00000 AG02 1 0.360349 0.500000 0.498211 10.50000 0.04063 0.06830 = 0.09091 0.00000 -0.01276 0.00000 AG03 1 0.437148 0.414761 0.536555 11.00000 0.04896 0.06315 = 0.09253 0.00586 -0.01038 -0.00423 AG04 1 0.436491 0.446698 0.403630 11.00000 0.05282 0.06992 = 0.08532 -0.00889 -0.01805 -0.00169 AG05 1 0.439267 0.500000 0.618986 10.50000 0.05353 0.07762 = 0.07818 0.00000 -0.00805 0.00000 AG06 1 0.278132 0.500000 0.631242 10.50000 0.07776 0.09551 = 0.12647 0.00000 0.00694 0.00000 AG07 1 0.500000 0.311279 0.500000 10.50000 0.09134 0.08816 = 0.14784 0.00000 -0.03531 0.00000 AG08 1 0.281422 0.412941 0.541953 11.00000 0.07926 0.09631 = 0.13918 0.00310 -0.00465 -0.01998 AG09 1 0.355874 0.500000 0.284987 10.50000 0.07566 0.13035 = 0.12167 0.00000 -0.02332 0.00000 AG0B 1 0.283491 0.446295 0.385673 11.00000 0.07004 0.11337 = 0.14307 -0.00414 -0.03234 -0.00388 AG0C 1 0.360958 0.411757 0.665738 11.00000 0.09782 0.10844 = 0.13419 0.02032 0.01016 -0.01151 AG0D 1 0.371992 0.347860 0.437109 11.00000 0.10302 0.09922 = 0.14222 -0.01741 -0.03254 -0.01773 AG0E 1 0.499190 0.349620 0.362561 11.00000 0.10805 0.10085 = 0.14092 -0.03714 -0.02745 0.00341 C00H 2 0.251157 0.500000 0.300187 10.50000 0.07050 0.15600 = 0.12625 0.00000 -0.04045 0.00000 C00I 2 0.201054 0.500000 0.279534 10.50000 0.08144 0.11409 = 0.20742 0.00000 -0.07319 0.00000 C00L 2 0.330391 0.348081 0.240160 11.00000 0.09399 0.15974 = 0.15309 -0.05510 -0.04915 -0.01117 C00U 2 0.453401 0.287161 0.410519 11.00000 0.12125 0.08598 = 0.16205 -0.03122 -0.03690 -0.00453 C00X 2 0.437894 0.250421 0.388848 11.00000 0.13078 0.09952 = 0.20671 -0.04057 -0.04712 -0.00293 C00Y 2 0.242255 0.425589 0.638907 11.00000 0.09440 0.09580 = 0.13620 0.00690 0.00833 -0.02360 C011 2 0.132286 0.500000 0.234741 10.50000 0.10407 0.17309 = 0.12147 0.00000 -0.06329 0.00000 C012 2 0.401739 0.401609 0.324825 11.00000 0.11546 0.10598 = 0.10833 -0.03012 -0.03717 -0.00769 C013 2 0.384233 0.351899 0.560439 11.00000 0.12509 0.06574 = 0.14948 0.01381 0.00211 -0.00714 C0AA 2 0.149538 0.385707 0.703464 11.00000 0.13714 0.15764 = 0.13068 0.02296 0.04272 -0.01299 C1AA 2 0.096500 0.544997 0.243161 11.00000 0.06219 0.21226 = 0.19496 -0.00301 -0.06144 0.02240 C73 2 0.201145 0.409219 0.665216 11.00000 0.10061 0.09790 = 0.17688 0.00534 0.03583 -0.00724 C31 2 0.323618 0.273670 0.597547 11.00000 0.10806 0.10770 = 0.10823 0.00040 0.00230 -0.00062 C36 2 0.327551 0.271483 0.670219 11.00000 0.33562 0.14801 = 0.10904 -0.02069 0.02610 -0.03902 C91 2 0.362449 0.381967 0.293570 11.00000 0.10242 0.15658 = 0.14436 -0.04556 -0.04887 -0.01513 AG1 1 0.491665 0.445371 0.269818 11.00000 0.09255 0.13339 = 0.09557 -0.01682 -0.01401 0.00642 C29 2 0.433884 0.500000 0.215202 10.50000 0.07863 0.16843 = 0.09876 0.00000 -0.03533 0.00000 C8AA 2 0.416812 0.500000 0.152498 10.50000 0.10444 0.16633 = 0.10180 0.00000 -0.02794 0.00000 S8 5 0.201555 0.346932 0.432842 11.00000 0.12394 0.14541 = 0.20261 -0.01323 -0.01940 -0.02185 PART 1 F31 3 0.147108 0.337131 0.359681 21.00000 0.13621 0.16251 = 0.23682 -0.02277 -0.03816 -0.04209 F36 3 0.157714 0.266574 0.406918 21.00000 0.13866 0.16686 = 0.23390 -0.01906 -0.04234 -0.04357 PART 0 C0BA 2 0.138346 0.316984 0.425828 11.00000 0.13439 0.16835 = 0.24724 -0.01981 -0.03175 -0.04791 O31 4 0.198152 0.360631 0.500995 11.00000 0.10961 0.15842 = 0.20723 -0.10174 0.00308 -0.00002 C55 2 0.358158 0.318591 0.573304 11.00000 0.12409 0.09824 = 0.19114 0.01754 0.04886 -0.00725 C24 2 0.122919 0.500000 0.477930 10.50000 0.07237 0.12674 = 0.13539 0.00000 0.00386 0.00000 C35 2 0.107766 0.478436 0.411010 11.00000 0.16156 0.16169 = 0.16137 -0.00106 0.00235 -0.00036 S13 5 0.563585 0.346923 0.218011 11.00000 0.19220 0.21144 = 0.17826 -0.02799 0.01118 0.03624 C2AA 2 0.201594 0.500000 0.487281 10.50000 0.05790 0.11948 = 0.24794 0.00000 0.01724 0.00000 PART -1 C37 2 0.253059 0.477518 0.486527 10.50000 0.04280 0.15691 = 0.13118 0.01243 -0.01365 0.00324 PART 0 PART 1 F43 3 0.064328 0.307777 0.415720 21.00000 0.13649 0.17477 = 0.25913 -0.01116 -0.03352 -0.04343 PART 0 C3AA 2 0.400597 0.500000 0.082523 10.50000 0.11118 0.16254 = 0.10436 0.00000 -0.04055 0.00000 PART 2 F31A 3 0.067530 0.335946 0.422800 -21.00000 0.14118 0.19941 = 0.30100 -0.03564 -0.03715 -0.04864 F36A 3 0.134797 0.297530 0.358955 -21.00000 0.18210 0.20730 = 22.81162 -0.03864 -0.02645 -0.06184 F43A 3 0.116994 0.270357 0.456542 -21.00000 0.18131 0.18707 = 0.29147 -0.01096 -0.03570 -0.06879 PART 0 C8 2 0.323151 0.500000 0.075272 10.50000 0.10978 0.38202 = 0.08072 0.00000 -0.02531 0.00000 C44 2 0.429267 0.198369 0.366336 11.00000 0.13573 0.10122 = 0.21107 -0.04487 -0.05341 -0.00336 PART 1 C58 2 0.442510 0.198550 0.293940 31.00000 0.13620 0.09445 = 0.21299 -0.04223 -0.05118 0.00921 C62 2 0.355831 0.186518 0.347717 31.00000 0.13494 0.11116 = 0.21344 -0.05215 -0.05354 -0.00221 C68 2 0.459693 0.170070 0.423543 31.00000 0.13743 0.09554 = 0.21590 -0.04033 -0.05848 -0.01513 PART 0 PART 2 C62A 2 0.403939 0.237379 0.318926 -31.00000 0.14759 0.11067 = 0.21192 -0.04162 -0.05094 -0.00197 C68A 2 0.355039 0.190648 0.383095 -31.00000 0.13757 0.10434 = 0.21775 -0.04387 -0.05093 -0.00376 C58A 2 0.471978 0.179594 0.311005 -31.00000 0.14141 0.11922 = 0.21513 -0.05241 -0.05192 -0.00022 PART 0 PART 1 C6AA 2 0.295083 0.305516 0.278625 41.00000 0.10604 0.15930 = 0.17555 -0.04887 -0.03914 -0.01116 C22 2 0.390169 0.350418 0.190235 41.00000 0.10489 0.17571 = 0.15881 -0.05280 -0.04069 -0.00751 C17 2 0.286378 0.387193 0.202153 41.00000 0.11094 0.15057 = 0.13379 -0.07011 -0.05406 -0.00844 PART 0 PART 2 C6AB 2 0.378833 0.302069 0.236678 -41.00000 0.10442 0.16856 = 0.14961 -0.05387 -0.04673 -0.00252 C17A 2 0.253837 0.347182 0.261871 -41.00000 0.09776 0.16875 = 0.17260 -0.06849 -0.04138 -0.01461 C22A 2 0.363869 0.362639 0.173983 -41.00000 0.09519 0.17490 = 0.14893 -0.05025 -0.05258 -0.00330 PART 0 O74 4 0.530105 0.309935 0.272765 11.00000 0.18516 0.16046 = 0.17186 -0.04299 0.01078 0.03217 C6 2 0.434523 0.533976 0.055481 11.00000 0.17144 0.35542 = 0.22223 0.14627 0.03111 -0.01521 O75 4 0.647933 0.367638 0.242118 11.00000 0.21958 0.21959 = 0.21951 -0.00009 0.00424 -0.00009 C2 2 0.123627 0.446717 0.526778 11.00000 0.18837 0.18188 = 0.18749 0.04823 0.02620 -0.04011 C1 2 0.615135 0.500000 0.241508 10.50000 0.10968 0.19945 = 0.08931 0.00000 0.03516 0.00000 C3 2 0.654722 0.500000 0.173628 10.50000 0.11743 0.50717 = 0.05667 0.00000 0.00494 0.00000 PART -1 C4 2 0.598106 0.481246 0.288619 10.50000 0.07062 0.19427 = 0.09315 0.04813 -0.00919 0.02152 PART 0 C5 2 0.623214 0.264346 0.169929 11.00000 0.18089 0.18088 = 0.18088 -0.00001 0.00353 0.00000 C11 2 0.512843 0.291638 0.127248 11.00000 0.19344 0.19338 = 0.19334 -0.00016 0.00327 0.00056 C13 2 0.733124 0.500000 0.191619 10.50000 0.09067 0.58775 = 0.20248 0.00000 0.03692 0.00000 C5AA 2 0.102847 0.426793 0.729108 11.00000 0.16107 0.18910 = 0.28024 -0.01753 0.11272 -0.02092 C7 2 0.157666 0.369373 0.750004 11.00000 0.09545 0.38605 = 0.14483 0.07247 0.05886 0.04729 C9 2 0.102469 0.355170 0.644670 11.00000 0.17442 0.18098 = 0.22208 0.00702 0.01423 -0.07264 C7AA 2 0.174877 0.500000 0.167107 10.50000 0.18061 0.18070 = 0.18015 0.00000 0.00335 0.00000 C48 2 0.619465 0.475425 0.134142 11.00000 0.17484 0.54221 = 0.12193 -0.11199 -0.03959 0.09398 O4 4 0.205215 0.390065 0.369239 11.00000 0.14440 0.14441 = 0.14443 -0.00002 0.00280 -0.00001 C1BA 2 0.376537 0.230016 0.598015 11.00000 0.18970 0.12268 = 0.20109 -0.00297 0.00782 0.03077 C19 2 0.082285 0.500000 0.546216 10.50000 0.15790 0.28966 = 0.19513 0.00000 0.08658 0.00000 C47 2 0.248967 0.269200 0.564622 11.00000 0.07121 0.42682 = 0.26588 0.05002 0.00793 -0.05395 C18 2 0.574250 0.316071 0.156249 11.00000 0.15312 0.19338 = 0.20402 -0.02970 0.05162 0.01655 C40 2 0.605788 0.337352 0.094891 11.00000 0.30849 0.10173 = 0.20447 -0.03283 0.06496 -0.02863 O51 4 0.510249 0.395444 0.190284 11.00000 0.24990 0.19787 = 0.12774 -0.04747 0.01390 0.04857 O33 4 0.272105 0.311113 0.409294 11.00000 0.11930 0.11065 = 0.20869 -0.04299 -0.02417 -0.01974 HKLF 4 REM luocui(4fphcc)(dppp)-?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/?/ REM R1 = 0.1279 for 7816 Fo > 4sig(Fo) and 0.1541 for all 12005 data REM 696 parameters refined using 700 restraints END WGHT 0.2000 0.0000 REM Highest difference peak 2.067, deepest hole -2.074, 1-sigma level 0.307 Q1 1 0.4088 0.5000 0.4789 10.50000 0.05 2.07 Q2 1 0.2602 0.3769 0.4410 11.00000 0.05 1.90 ; _shelx_res_checksum 93927 _olex2_submission_special_instructions 'No special instructions were received' 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 Ag01 Ag 0.5000 0.5000 0.5000 0.0553(5) Uani 1 4 d S TU P B . Ag02 Ag 0.36035(7) 0.5000 0.49821(9) 0.0668(5) Uani 1 2 d S TU P B . Ag03 Ag 0.43715(5) 0.41476(4) 0.53655(7) 0.0684(4) Uani 1 1 d . U . . . Ag04 Ag 0.43649(6) 0.44670(5) 0.40363(7) 0.0696(4) Uani 1 1 d . U . . . Ag05 Ag 0.43927(8) 0.5000 0.61899(9) 0.0699(5) Uani 1 2 d S TU P B . Ag06 Ag 0.27813(12) 0.5000 0.63124(14) 0.0999(7) Uani 1 2 d S TU P B . Ag07 Ag 0.5000 0.31128(10) 0.5000 0.1096(8) Uani 1 2 d S TU P B . Ag08 Ag 0.28142(9) 0.41294(7) 0.54195(11) 0.1050(6) Uani 1 1 d . U . . . Ag09 Ag 0.35587(12) 0.5000 0.28499(15) 0.1096(8) Uani 1 2 d S TU P B . Ag0B Ag 0.28349(8) 0.44630(7) 0.38567(11) 0.1093(6) Uani 1 1 d . U . . . Ag0C Ag 0.36096(10) 0.41176(8) 0.66574(11) 0.1134(6) Uani 1 1 d . U . . . Ag0D Ag 0.37199(10) 0.34786(8) 0.43711(12) 0.1153(7) Uani 1 1 d . U . . . Ag0E Ag 0.49919(11) 0.34962(8) 0.36256(12) 0.1170(7) Uani 1 1 d . U . . . C00H C 0.2512(16) 0.5000 0.300(2) 0.118(4) Uani 1 2 d S TU P B . C00I C 0.2011(18) 0.5000 0.280(3) 0.135(10) Uani 1 2 d S TU P . . C00L C 0.3304(12) 0.3481(11) 0.2402(13) 0.136(7) Uani 1 1 d D U . . . C00U C 0.4534(15) 0.2872(10) 0.4105(16) 0.124(3) Uani 1 1 d . U . . . C00X C 0.4379(17) 0.2504(10) 0.389(2) 0.146(7) Uani 1 1 d D U . . . C00Y C 0.2423(13) 0.4256(10) 0.6389(14) 0.109(4) Uani 1 1 d . U . . . C011 C 0.132(2) 0.5000 0.235(2) 0.134(10) Uani 1 2 d S TU P B . C012 C 0.4017(14) 0.4016(10) 0.3248(13) 0.110(3) Uani 1 1 d . U . . . C013 C 0.3842(15) 0.3519(8) 0.5604(15) 0.113(3) Uani 1 1 d . U . . . C0AA C 0.1495(18) 0.3857(13) 0.7035(18) 0.141(9) Uani 1 1 d D U . . . C1AA C 0.0965(12) 0.5450(15) 0.2432(19) 0.157(12) Uani 1 1 d . U . . . C73 C 0.2011(14) 0.4092(10) 0.6652(18) 0.125(8) Uani 1 1 d . U . . . C31 C 0.3236(12) 0.2737(9) 0.5975(11) 0.108(5) Uani 1 1 d D U . . . C36 C 0.328(3) 0.2715(16) 0.6702(15) 0.197(17) Uani 1 1 d D U . . . C91 C 0.3624(14) 0.3820(12) 0.2936(15) 0.135(6) Uani 1 1 d D U . . . Ag1 Ag 0.49167(9) 0.44537(8) 0.26982(9) 0.1074(6) Uani 1 1 d . U . . . C29 C 0.4339(17) 0.5000 0.2152(18) 0.116(4) Uani 1 2 d S TU P B . C8AA C 0.417(2) 0.5000 0.152(2) 0.125(11) Uani 1 2 d S TU P . . S8 S 0.2016(5) 0.3469(4) 0.4328(6) 0.158(3) Uani 1 1 d D U . . . F31 F 0.147(9) 0.337(7) 0.360(4) 0.179(10) Uani 0.096(5) 1 d D U . A 1 F36 F 0.158(8) 0.267(3) 0.407(10) 0.180(11) Uani 0.096(5) 1 d D U . A 1 C0BA C 0.1383(9) 0.3170(9) 0.4258(14) 0.184(5) Uani 1 1 d D U . . . O31 O 0.1982(10) 0.3606(9) 0.5010(14) 0.158(2) Uani 1 1 d . U . . . C55 C 0.3582(17) 0.3186(11) 0.573(2) 0.137(8) Uani 1 1 d D U . . . C24 C 0.1229(17) 0.5000 0.4779(18) 0.111(6) Uani 1 2 d DS TU P B . C35 C 0.1078(19) 0.4784(14) 0.4110(18) 0.162(9) Uani 1 1 d D U . . . S13 S 0.5636(7) 0.3469(5) 0.2180(7) 0.194(4) Uani 1 1 d D U . . . C2AA C 0.2016(16) 0.5000 0.487(3) 0.142(6) Uani 1 2 d S TU P . . C37 C 0.2531(17) 0.4775(19) 0.487(3) 0.110(3) Uani 0.5 1 d . U . B -1 F43 F 0.064(2) 0.308(6) 0.416(9) 0.191(13) Uani 0.096(5) 1 d D U . A 1 C3AA C 0.401(2) 0.5000 0.083(2) 0.127(12) Uani 1 2 d S TU P B . F31A F 0.0675(12) 0.3359(10) 0.4228(16) 0.214(8) Uani 0.904(5) 1 d D U . A 2 F36A F 0.1348(15) 0.2975(12) 0.3590(15) 0.221(8) Uani 0.904(5) 1 d D U . A 2 F43A F 0.1170(15) 0.2704(10) 0.4565(15) 0.220(8) Uani 0.904(5) 1 d D U . A 2 C8 C 0.323(2) 0.5000 0.075(2) 0.19(3) Uani 1 2 d S TU P . . C44 C 0.4293(15) 0.1984(10) 0.3663(17) 0.150(7) Uani 1 1 d D U . . . C58 C 0.443(4) 0.199(3) 0.294(2) 0.149(11) Uani 0.46(4) 1 d D U . C 1 C62 C 0.356(2) 0.187(3) 0.348(4) 0.154(11) Uani 0.46(4) 1 d D U . C 1 C68 C 0.460(4) 0.170(2) 0.424(3) 0.150(12) Uani 0.46(4) 1 d D U . C 1 C62A C 0.404(3) 0.2374(17) 0.319(3) 0.157(9) Uani 0.54(4) 1 d D U . C 2 C68A C 0.355(2) 0.191(2) 0.383(4) 0.154(11) Uani 0.54(4) 1 d D U . C 2 C58A C 0.472(3) 0.180(2) 0.311(3) 0.159(12) Uani 0.54(4) 1 d D U . C 2 C6AA C 0.295(3) 0.3055(19) 0.279(3) 0.148(11) Uani 0.59(3) 1 d D U . D 1 C22 C 0.390(2) 0.350(3) 0.190(2) 0.147(10) Uani 0.59(3) 1 d D U . D 1 C17 C 0.286(2) 0.3872(14) 0.202(2) 0.133(9) Uani 0.59(3) 1 d D U . D 1 C6AB C 0.379(3) 0.302(2) 0.237(4) 0.142(10) Uani 0.41(3) 1 d D U . D 2 C17A C 0.2538(19) 0.347(3) 0.262(4) 0.147(13) Uani 0.41(3) 1 d D U . D 2 C22A C 0.364(3) 0.363(3) 0.174(2) 0.140(10) Uani 0.41(3) 1 d D U . D 2 O74 O 0.5301(16) 0.3099(10) 0.2728(14) 0.172(5) Uani 1 1 d . U . . . C6 C 0.435(3) 0.534(2) 0.055(3) 0.25(3) Uani 1 1 d . U . . . O75 O 0.6479(19) 0.3676(15) 0.2421(19) 0.220(7) Uani 1 1 d . U . . . C2 C 0.124(2) 0.4467(17) 0.527(2) 0.186(12) Uani 1 1 d . U . . . C1 C 0.615(2) 0.5000 0.2415(19) 0.132(11) Uani 1 2 d S TU P . . C3 C 0.655(3) 0.5000 0.1736(19) 0.23(3) Uani 1 2 d S TU P B . C4 C 0.598(2) 0.481(2) 0.289(2) 0.119(10) Uani 0.5 1 d . U . B -1 C5 C 0.623(2) 0.2643(18) 0.170(2) 0.181(4) Uani 1 1 d . U . . . C11 C 0.513(3) 0.292(2) 0.127(3) 0.193(7) Uani 1 1 d . U . . . C13 C 0.733(3) 0.5000 0.192(4) 0.29(6) Uani 1 2 d S TU P . . C5AA C 0.103(2) 0.4268(16) 0.729(3) 0.209(18) Uani 1 1 d D U . . . C7 C 0.1577(17) 0.369(2) 0.750(2) 0.208(17) Uani 1 1 d . U . . . C9 C 0.102(2) 0.3552(18) 0.645(3) 0.192(14) Uani 1 1 d . U . . . C7AA C 0.175(3) 0.5000 0.167(3) 0.180(14) Uani 1 2 d S TU P . . C48 C 0.619(2) 0.475(3) 0.1341(19) 0.28(5) Uani 1 1 d . U . . . O4 O 0.2052(12) 0.3901(7) 0.3692(9) 0.144(2) Uani 1 1 d D U . . . C1BA C 0.377(2) 0.2300(12) 0.598(2) 0.171(11) Uani 1 1 d D U . . . C19 C 0.082(3) 0.5000 0.546(4) 0.213(18) Uani 1 2 d S TU P . . C47 C 0.2490(17) 0.269(3) 0.565(3) 0.25(3) Uani 1 1 d . U . . . C18 C 0.574(2) 0.3161(18) 0.156(3) 0.183(6) Uani 1 1 d . U . . . C40 C 0.606(3) 0.3374(14) 0.095(2) 0.204(15) Uani 1 1 d . U . . . O51 O 0.5102(16) 0.3954(9) 0.1903(11) 0.192(7) Uani 1 1 d D U . . . O33 O 0.2721(8) 0.3111(7) 0.4093(13) 0.147(5) Uani 1 1 d D 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 Ag01 0.0355(8) 0.0569(11) 0.0733(13) 0.000 -0.0075(8) 0.000 Ag02 0.0406(7) 0.0683(9) 0.0909(11) 0.000 -0.0128(7) 0.000 Ag03 0.0490(6) 0.0632(7) 0.0925(9) 0.0059(6) -0.0104(5) -0.0042(4) Ag04 0.0528(6) 0.0699(7) 0.0853(8) -0.0089(6) -0.0180(5) -0.0017(5) Ag05 0.0535(8) 0.0776(11) 0.0782(11) 0.000 -0.0080(7) 0.000 Ag06 0.0778(13) 0.0955(15) 0.1265(19) 0.000 0.0069(12) 0.000 Ag07 0.0913(15) 0.0882(15) 0.148(2) 0.000 -0.0353(15) 0.000 Ag08 0.0793(10) 0.0963(12) 0.1392(15) 0.0031(10) -0.0047(9) -0.0200(8) Ag09 0.0757(13) 0.130(2) 0.1217(19) 0.000 -0.0233(12) 0.000 Ag0B 0.0700(9) 0.1134(13) 0.1431(16) -0.0041(11) -0.0323(9) -0.0039(8) Ag0C 0.0978(12) 0.1084(14) 0.1342(16) 0.0203(11) 0.0102(11) -0.0115(10) Ag0D 0.1030(12) 0.0992(12) 0.1422(16) -0.0174(11) -0.0325(11) -0.0177(9) Ag0E 0.1081(13) 0.1008(13) 0.1409(16) -0.0371(11) -0.0275(11) 0.0034(10) C00H 0.070(6) 0.156(10) 0.126(9) 0.000 -0.040(7) 0.000 C00I 0.081(9) 0.11(2) 0.21(2) 0.000 -0.073(15) 0.000 C00L 0.094(11) 0.160(16) 0.153(15) -0.055(12) -0.049(9) -0.011(9) C00U 0.121(10) 0.086(6) 0.162(9) -0.031(5) -0.037(7) -0.005(6) C00X 0.131(15) 0.100(8) 0.207(19) -0.041(9) -0.047(13) -0.003(7) C00Y 0.094(7) 0.096(10) 0.136(8) 0.007(7) 0.008(6) -0.024(7) C011 0.104(19) 0.17(3) 0.121(18) 0.000 -0.063(12) 0.000 C012 0.115(8) 0.106(9) 0.108(7) -0.030(4) -0.037(5) -0.008(5) C013 0.125(8) 0.066(5) 0.149(6) 0.014(5) 0.002(6) -0.007(5) C0AA 0.14(2) 0.16(3) 0.13(2) 0.023(16) 0.043(15) -0.013(14) C1AA 0.062(13) 0.21(3) 0.19(3) 0.00(2) -0.061(15) 0.022(14) C73 0.101(9) 0.098(14) 0.177(19) 0.005(15) 0.036(13) -0.007(11) C31 0.108(5) 0.108(5) 0.108(5) 0.0004(10) 0.0023(10) -0.0006(10) C36 0.34(5) 0.15(3) 0.109(10) -0.021(16) 0.026(19) -0.04(3) C91 0.102(11) 0.157(17) 0.144(15) -0.046(11) -0.049(9) -0.015(8) Ag1 0.0926(11) 0.1334(16) 0.0956(11) -0.0168(10) -0.0140(9) 0.0064(10) C29 0.079(9) 0.168(10) 0.099(8) 0.000 -0.035(6) 0.000 C8AA 0.10(2) 0.17(3) 0.102(9) 0.000 -0.028(9) 0.000 S8 0.124(5) 0.145(6) 0.203(7) -0.013(5) -0.019(5) -0.022(4) F31 0.136(17) 0.16(2) 0.237(13) -0.023(12) -0.038(11) -0.042(16) F36 0.139(18) 0.167(12) 0.23(3) -0.019(11) -0.04(2) -0.044(11) C0BA 0.134(7) 0.168(12) 0.247(13) -0.020(9) -0.032(9) -0.048(8) O31 0.110(2) 0.158(2) 0.207(2) -0.10174(10) 0.00308(11) -0.00002(10) C55 0.124(18) 0.098(12) 0.191(14) 0.018(17) 0.049(19) -0.007(8) C24 0.072(7) 0.127(11) 0.135(10) 0.000 0.004(8) 0.000 C35 0.162(9) 0.162(9) 0.161(9) -0.001(2) 0.002(2) 0.000(2) S13 0.192(9) 0.211(10) 0.178(8) -0.028(6) 0.011(7) 0.036(7) C2AA 0.058(7) 0.119(15) 0.25(2) 0.000 0.017(9) 0.000 C37 0.043(5) 0.157(8) 0.131(6) 0.012(6) -0.014(6) 0.003(6) F43 0.136(9) 0.17(3) 0.26(3) -0.01(2) -0.034(13) -0.043(11) C3AA 0.111(19) 0.16(4) 0.104(13) 0.000 -0.04(2) 0.000 F31A 0.141(7) 0.199(16) 0.30(2) -0.036(14) -0.037(11) -0.049(9) F36A 0.182(15) 0.207(18) 0.271(13) -0.039(11) -0.026(11) -0.062(13) F43A 0.181(16) 0.187(13) 0.291(18) -0.011(13) -0.036(14) -0.069(10) C8 0.110(19) 0.38(10) 0.08(2) 0.000 -0.025(18) 0.000 C44 0.136(14) 0.101(9) 0.21(2) -0.045(10) -0.053(13) -0.003(8) C58 0.14(2) 0.09(2) 0.21(2) -0.042(12) -0.051(15) 0.009(17) C62 0.135(15) 0.11(2) 0.21(3) -0.052(18) -0.054(15) -0.002(13) C68 0.14(3) 0.096(14) 0.22(2) -0.040(15) -0.06(2) -0.015(15) C62A 0.148(19) 0.111(14) 0.21(2) -0.042(12) -0.051(15) -0.002(11) C68A 0.138(15) 0.104(18) 0.22(3) -0.044(17) -0.051(16) -0.004(12) C58A 0.14(2) 0.119(19) 0.22(2) -0.052(16) -0.052(18) 0.000(15) C6AA 0.11(2) 0.16(2) 0.18(2) -0.049(16) -0.039(15) -0.011(14) C22 0.105(15) 0.18(3) 0.159(18) -0.053(15) -0.041(13) -0.008(14) C17 0.111(16) 0.15(2) 0.134(19) -0.070(14) -0.054(12) -0.008(12) C6AB 0.104(18) 0.169(19) 0.15(2) -0.054(14) -0.047(16) -0.003(14) C17A 0.098(11) 0.17(3) 0.17(3) -0.07(2) -0.041(12) -0.015(11) C22A 0.10(2) 0.17(2) 0.149(16) -0.050(14) -0.053(13) -0.003(17) O74 0.185(9) 0.160(7) 0.172(7) -0.043(6) 0.011(7) 0.032(7) C6 0.17(3) 0.36(7) 0.22(4) 0.15(5) 0.03(3) -0.02(4) O75 0.220(7) 0.220(7) 0.220(7) -0.0001(10) 0.0042(10) -0.0001(10) C2 0.19(2) 0.182(17) 0.187(15) 0.048(15) 0.026(16) -0.040(14) C1 0.110(19) 0.20(4) 0.089(17) 0.000 0.035(18) 0.000 C3 0.12(2) 0.51(10) 0.057(18) 0.000 0.005(16) 0.000 C4 0.071(7) 0.19(2) 0.093(16) 0.048(16) -0.009(10) 0.022(12) C5 0.181(4) 0.181(4) 0.181(4) 0.0000(2) 0.0035(2) 0.0000(2) C11 0.193(7) 0.193(8) 0.193(8) 0.000(2) 0.003(2) 0.001(2) C13 0.091(18) 0.59(19) 0.20(7) 0.000 0.04(2) 0.000 C5AA 0.16(3) 0.19(3) 0.28(5) -0.02(3) 0.11(3) -0.02(2) C7 0.095(19) 0.39(6) 0.145(19) 0.07(2) 0.059(14) 0.05(2) C9 0.174(19) 0.18(2) 0.22(2) 0.007(16) 0.014(16) -0.073(16) C7AA 0.181(14) 0.181(14) 0.180(14) 0.000 0.003(2) 0.000 C48 0.17(3) 0.54(14) 0.12(2) -0.11(5) -0.04(3) 0.09(4) O4 0.144(2) 0.144(2) 0.144(2) -0.00002(10) 0.00280(11) -0.00001(10) C1BA 0.190(19) 0.123(12) 0.20(2) -0.003(15) 0.008(16) 0.031(13) C19 0.16(3) 0.29(4) 0.20(2) 0.000 0.09(3) 0.000 C47 0.071(14) 0.43(6) 0.27(4) 0.05(6) 0.008(18) -0.054(18) C18 0.15(2) 0.19(3) 0.204(16) -0.030(11) 0.052(16) 0.017(16) C40 0.31(4) 0.10(2) 0.20(2) -0.033(13) 0.06(3) -0.03(3) O51 0.250(16) 0.198(15) 0.128(9) -0.047(7) 0.014(10) 0.049(15) O33 0.119(6) 0.111(7) 0.209(17) -0.043(9) -0.024(7) -0.020(5) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.3331 0.5567 '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 Ag02 Ag01 Ag02 180.0 5_666 . ? Ag02 Ag01 Ag03 63.22(3) 5_666 2_656 ? Ag02 Ag01 Ag03 116.78(3) 5_666 6_565 ? Ag02 Ag01 Ag03 116.78(3) 5_666 . ? Ag02 Ag01 Ag03 116.78(3) . 2_656 ? Ag02 Ag01 Ag03 63.22(3) . . ? Ag02 Ag01 Ag03 63.22(3) . 6_565 ? Ag02 Ag01 Ag03 116.78(3) . 5_666 ? Ag02 Ag01 Ag03 63.22(3) 5_666 5_666 ? Ag02 Ag01 Ag04 116.76(4) 5_666 . ? Ag02 Ag01 Ag04 63.25(4) . 6_565 ? Ag02 Ag01 Ag04 116.75(4) . 2_656 ? Ag02 Ag01 Ag04 63.25(4) . . ? Ag02 Ag01 Ag04 63.24(4) 5_666 2_656 ? Ag02 Ag01 Ag04 63.24(4) 5_666 5_666 ? Ag02 Ag01 Ag04 116.75(4) . 5_666 ? Ag02 Ag01 Ag04 116.76(4) 5_666 6_565 ? Ag02 Ag01 Ag05 116.07(5) 5_666 . ? Ag02 Ag01 Ag05 63.93(5) 5_666 5_666 ? Ag02 Ag01 Ag05 63.93(5) . . ? Ag02 Ag01 Ag05 116.07(5) . 5_666 ? Ag03 Ag01 Ag03 115.92(5) . 6_565 ? Ag03 Ag01 Ag03 64.07(5) 5_666 6_565 ? Ag03 Ag01 Ag03 64.08(5) . 2_656 ? Ag03 Ag01 Ag03 180.00(5) 2_656 6_565 ? Ag03 Ag01 Ag03 115.93(5) 5_666 2_656 ? Ag03 Ag01 Ag03 180.00(3) . 5_666 ? Ag04 Ag01 Ag03 116.65(3) 5_666 2_656 ? Ag04 Ag01 Ag03 63.35(3) 5_666 6_565 ? Ag04 Ag01 Ag03 116.88(4) . 5_666 ? Ag04 Ag01 Ag03 116.88(4) 6_565 2_656 ? Ag04 Ag01 Ag03 116.88(4) 2_656 6_565 ? Ag04 Ag01 Ag03 63.12(4) 2_656 2_656 ? Ag04 Ag01 Ag03 63.35(3) 2_656 . ? Ag04 Ag01 Ag03 63.35(3) . 2_656 ? Ag04 Ag01 Ag03 63.12(4) 6_565 6_565 ? Ag04 Ag01 Ag03 63.12(4) . . ? Ag04 Ag01 Ag03 116.65(3) . 6_565 ? Ag04 Ag01 Ag03 116.88(4) 5_666 . ? Ag04 Ag01 Ag03 116.65(3) 6_565 . ? Ag04 Ag01 Ag03 63.12(4) 5_666 5_666 ? Ag04 Ag01 Ag03 63.35(3) 6_565 5_666 ? Ag04 Ag01 Ag03 116.65(3) 2_656 5_666 ? Ag04 Ag01 Ag04 115.82(5) 5_666 6_565 ? Ag04 Ag01 Ag04 64.18(5) 5_666 2_656 ? Ag04 Ag01 Ag04 115.82(5) 2_656 . ? Ag04 Ag01 Ag04 180.0 6_565 2_656 ? Ag04 Ag01 Ag04 64.18(5) 6_565 . ? Ag04 Ag01 Ag04 180.00(4) 5_666 . ? Ag04 Ag01 Ag05 63.46(4) 2_656 . ? Ag04 Ag01 Ag05 63.46(4) . 5_666 ? Ag04 Ag01 Ag05 116.54(4) . . ? Ag04 Ag01 Ag05 116.54(4) 6_565 . ? Ag04 Ag01 Ag05 63.46(4) 5_666 . ? Ag04 Ag01 Ag05 116.54(4) 5_666 5_666 ? Ag04 Ag01 Ag05 63.46(4) 6_565 5_666 ? Ag04 Ag01 Ag05 116.54(4) 2_656 5_666 ? Ag05 Ag01 Ag03 116.71(3) . 5_666 ? Ag05 Ag01 Ag03 116.71(3) . 2_656 ? Ag05 Ag01 Ag03 63.29(3) 5_666 5_666 ? Ag05 Ag01 Ag03 63.29(3) 5_666 2_656 ? Ag05 Ag01 Ag03 116.71(3) 5_666 . ? Ag05 Ag01 Ag03 116.71(3) 5_666 6_565 ? Ag05 Ag01 Ag03 63.29(3) . 6_565 ? Ag05 Ag01 Ag03 63.29(3) . . ? Ag05 Ag01 Ag05 180.0 5_666 . ? Ag01 Ag02 Ag03 58.52(3) . 6_565 ? Ag01 Ag02 Ag03 58.51(3) . . ? Ag01 Ag02 Ag04 58.40(4) . 6_565 ? Ag01 Ag02 Ag04 58.40(4) . . ? Ag01 Ag02 Ag05 58.13(4) . . ? Ag01 Ag02 Ag06 120.55(7) . . ? Ag01 Ag02 Ag08 121.35(4) . . ? Ag01 Ag02 Ag08 121.35(4) . 6_565 ? Ag01 Ag02 Ag0B 118.73(7) . 6_565 ? Ag01 Ag02 Ag0B 118.73(7) . . ? Ag03 Ag02 Ag03 108.14(6) . 6_565 ? Ag03 Ag02 Ag05 59.81(4) . . ? Ag03 Ag02 Ag05 59.81(4) 6_565 . ? Ag03 Ag02 Ag06 92.01(6) 6_565 . ? Ag03 Ag02 Ag06 92.01(6) . . ? Ag03 Ag02 Ag08 146.52(9) . 6_565 ? Ag03 Ag02 Ag08 62.90(4) . . ? Ag03 Ag02 Ag08 62.90(4) 6_565 6_565 ? Ag03 Ag02 Ag08 146.51(9) 6_565 . ? Ag03 Ag02 Ag0B 93.81(5) 6_565 6_565 ? Ag03 Ag02 Ag0B 146.20(7) 6_565 . ? Ag03 Ag02 Ag0B 93.81(5) . . ? Ag03 Ag02 Ag0B 146.20(7) . 6_565 ? Ag04 Ag02 Ag03 59.95(4) . . ? Ag04 Ag02 Ag03 108.65(6) . 6_565 ? Ag04 Ag02 Ag03 108.65(6) 6_565 . ? Ag04 Ag02 Ag03 59.95(4) 6_565 6_565 ? Ag04 Ag02 Ag04 60.89(7) 6_565 . ? Ag04 Ag02 Ag05 107.74(5) . . ? Ag04 Ag02 Ag05 107.74(5) 6_565 . ? Ag04 Ag02 Ag06 148.86(4) 6_565 . ? Ag04 Ag02 Ag06 148.86(4) . . ? Ag04 Ag02 Ag08 152.54(7) . 6_565 ? Ag04 Ag02 Ag08 152.54(7) 6_565 . ? Ag04 Ag02 Ag08 94.61(5) 6_565 6_565 ? Ag04 Ag02 Ag08 94.61(5) . . ? Ag04 Ag02 Ag0B 60.44(5) 6_565 6_565 ? Ag04 Ag02 Ag0B 89.15(7) 6_565 . ? Ag04 Ag02 Ag0B 60.44(5) . . ? Ag04 Ag02 Ag0B 89.15(7) . 6_565 ? Ag05 Ag02 Ag06 62.43(7) . . ? Ag05 Ag02 Ag08 90.73(6) . . ? Ag05 Ag02 Ag08 90.73(6) . 6_565 ? Ag05 Ag02 Ag0B 151.81(4) . . ? Ag05 Ag02 Ag0B 151.81(4) . 6_565 ? Ag08 Ag02 Ag06 57.98(5) . . ? Ag08 Ag02 Ag06 57.98(5) 6_565 . ? Ag08 Ag02 Ag08 105.56(9) 6_565 . ? Ag08 Ag02 Ag0B 66.54(6) 6_565 6_565 ? Ag08 Ag02 Ag0B 110.72(6) . 6_565 ? Ag08 Ag02 Ag0B 110.72(6) 6_565 . ? Ag08 Ag02 Ag0B 66.55(6) . . ? Ag0B Ag02 Ag06 113.08(7) . . ? Ag0B Ag02 Ag06 113.08(7) 6_565 . ? Ag0B Ag02 Ag0B 56.34(8) 6_565 . ? C37 Ag02 Ag01 162.8(14) . . ? C37 Ag02 Ag03 138.6(14) . 6_565 ? C37 Ag02 Ag03 107.4(13) . . ? C37 Ag02 Ag04 107.1(14) . . ? C37 Ag02 Ag04 125.2(13) . 6_565 ? C37 Ag02 Ag05 125.9(14) . . ? C37 Ag02 Ag06 66.3(14) . . ? C37 Ag02 Ag08 46.4(13) . . ? C37 Ag02 Ag08 75.8(14) . 6_565 ? C37 Ag02 Ag0B 66.5(13) . 6_565 ? C37 Ag02 Ag0B 48.5(14) . . ? Ag01 Ag03 Ag02 58.26(4) . . ? Ag01 Ag03 Ag03 57.96(3) . 2_656 ? Ag01 Ag03 Ag04 58.34(3) . . ? Ag01 Ag03 Ag04 58.22(3) . 2_656 ? Ag01 Ag03 Ag05 58.32(4) . . ? Ag01 Ag03 Ag07 120.69(5) . . ? Ag01 Ag03 Ag08 118.53(5) . . ? Ag01 Ag03 Ag0C 119.19(6) . . ? Ag01 Ag03 Ag0D 121.01(7) . . ? Ag01 Ag03 Ag0E 120.74(5) . 2_656 ? Ag02 Ag03 Ag03 107.60(5) . 2_656 ? Ag02 Ag03 Ag04 108.30(5) . 2_656 ? Ag02 Ag03 Ag05 60.58(5) . . ? Ag02 Ag03 Ag07 149.13(6) . . ? Ag02 Ag03 Ag08 60.32(5) . . ? Ag02 Ag03 Ag0C 89.89(6) . . ? Ag02 Ag03 Ag0D 95.25(6) . . ? Ag02 Ag03 Ag0E 151.91(8) . 2_656 ? Ag03 Ag03 Ag07 62.73(3) 2_656 . ? Ag03 Ag03 Ag08 150.98(8) 2_656 . ? Ag03 Ag03 Ag0C 151.24(7) 2_656 . ? Ag03 Ag03 Ag0D 90.06(7) 2_656 . ? Ag03 Ag03 Ag0E 90.71(6) 2_656 2_656 ? Ag04 Ag03 Ag02 59.99(5) . . ? Ag04 Ag03 Ag03 59.41(4) 2_656 2_656 ? Ag04 Ag03 Ag03 59.73(5) . 2_656 ? Ag04 Ag03 Ag04 107.64(5) . 2_656 ? Ag04 Ag03 Ag05 108.39(6) . . ? Ag04 Ag03 Ag07 92.06(4) 2_656 . ? Ag04 Ag03 Ag07 92.24(5) . . ? Ag04 Ag03 Ag08 93.07(6) . . ? Ag04 Ag03 Ag08 147.21(7) 2_656 . ? Ag04 Ag03 Ag0C 146.97(6) . . ? Ag04 Ag03 Ag0C 93.85(6) 2_656 . ? Ag04 Ag03 Ag0D 62.77(6) . . ? Ag04 Ag03 Ag0D 145.56(7) 2_656 . ? Ag04 Ag03 Ag0E 62.55(5) 2_656 2_656 ? Ag04 Ag03 Ag0E 146.80(7) . 2_656 ? Ag05 Ag03 Ag03 107.56(5) . 2_656 ? Ag05 Ag03 Ag04 60.08(5) . 2_656 ? Ag05 Ag03 Ag07 148.93(5) . . ? Ag05 Ag03 Ag08 89.70(6) . . ? Ag05 Ag03 Ag0C 60.93(6) . . ? Ag05 Ag03 Ag0D 153.15(6) . . ? Ag05 Ag03 Ag0E 94.06(7) . 2_656 ? Ag08 Ag03 Ag07 112.72(5) . . ? Ag08 Ag03 Ag0C 57.72(6) . . ? Ag0C Ag03 Ag07 112.21(6) . . ? Ag0D Ag03 Ag07 57.38(5) . . ? Ag0D Ag03 Ag08 66.66(6) . . ? Ag0D Ag03 Ag0C 111.38(7) . . ? Ag0E Ag03 Ag07 58.45(5) 2_656 . ? Ag0E Ag03 Ag08 111.66(7) 2_656 . ? Ag0E Ag03 Ag0C 65.62(7) 2_656 . ? Ag0E Ag03 Ag0D 106.09(7) 2_656 . ? C013 Ag03 Ag01 176.2(8) . . ? C013 Ag03 Ag02 118.3(8) . . ? C013 Ag03 Ag03 123.8(8) . 2_656 ? C013 Ag03 Ag04 125.5(8) . 2_656 ? C013 Ag03 Ag04 119.0(9) . . ? C013 Ag03 Ag05 122.1(9) . . ? C013 Ag03 Ag07 61.2(8) . . ? C013 Ag03 Ag08 58.2(8) . . ? C013 Ag03 Ag0C 61.2(9) . . ? C013 Ag03 Ag0D 56.6(9) . . ? C013 Ag03 Ag0E 63.0(8) . 2_656 ? Ag01 Ag04 Ag02 58.35(4) . . ? Ag01 Ag04 Ag03 58.54(3) . . ? Ag01 Ag04 Ag03 58.42(3) . 2_656 ? Ag01 Ag04 Ag04 57.91(3) . 6_565 ? Ag01 Ag04 Ag05 58.34(4) . 5_666 ? Ag01 Ag04 Ag09 121.12(5) . . ? Ag01 Ag04 Ag0B 121.85(6) . . ? Ag01 Ag04 Ag0D 119.27(6) . . ? Ag01 Ag04 Ag0E 118.85(5) . . ? Ag01 Ag04 Ag1 120.50(6) . . ? Ag02 Ag04 Ag03 108.55(6) . 2_656 ? Ag02 Ag04 Ag04 59.55(3) . 6_565 ? Ag02 Ag04 Ag05 107.80(5) . 5_666 ? Ag02 Ag04 Ag09 91.76(6) . . ? Ag02 Ag04 Ag0B 63.63(6) . . ? Ag02 Ag04 Ag0D 94.10(6) . . ? Ag02 Ag04 Ag0E 147.81(7) . . ? Ag02 Ag04 Ag1 146.69(7) . . ? Ag03 Ag04 Ag02 60.06(5) . . ? Ag03 Ag04 Ag03 60.86(5) . 2_656 ? Ag03 Ag04 Ag04 107.62(3) 2_656 6_565 ? Ag03 Ag04 Ag04 107.68(3) . 6_565 ? Ag03 Ag04 Ag05 108.60(5) . 5_666 ? Ag03 Ag04 Ag05 59.95(4) 2_656 5_666 ? Ag03 Ag04 Ag09 148.25(7) . . ? Ag03 Ag04 Ag09 149.76(7) 2_656 . ? Ag03 Ag04 Ag0B 95.83(6) . . ? Ag03 Ag04 Ag0B 153.73(7) 2_656 . ? Ag03 Ag04 Ag0D 60.82(5) . . ? Ag03 Ag04 Ag0D 89.58(6) 2_656 . ? Ag03 Ag04 Ag0E 90.33(6) . . ? Ag03 Ag04 Ag0E 60.46(5) 2_656 . ? Ag03 Ag04 Ag1 151.92(6) . . ? Ag03 Ag04 Ag1 93.81(6) 2_656 . ? Ag04 Ag04 Ag09 63.21(3) 6_565 . ? Ag04 Ag04 Ag0B 90.21(4) 6_565 . ? Ag04 Ag04 Ag0D 151.72(5) 6_565 . ? Ag04 Ag04 Ag0E 150.40(5) 6_565 . ? Ag04 Ag04 Ag1 90.70(5) 6_565 . ? Ag05 Ag04 Ag04 59.69(3) 5_666 6_565 ? Ag05 Ag04 Ag09 93.05(6) 5_666 . ? Ag05 Ag04 Ag0B 145.46(6) 5_666 . ? Ag05 Ag04 Ag0D 146.56(6) 5_666 . ? Ag05 Ag04 Ag0E 92.72(6) 5_666 . ? Ag05 Ag04 Ag1 62.20(6) 5_666 . ? Ag0B Ag04 Ag09 55.79(7) . . ? Ag0B Ag04 Ag0D 67.07(6) . . ? Ag0B Ag04 Ag0E 111.63(6) . . ? Ag0D Ag04 Ag09 111.64(5) . . ? Ag0E Ag04 Ag09 112.11(7) . . ? Ag0E Ag04 Ag0D 57.80(7) . . ? C012 Ag04 Ag01 171.5(8) . . ? C012 Ag04 Ag02 130.1(8) . . ? C012 Ag04 Ag03 114.1(7) . 2_656 ? C012 Ag04 Ag03 122.9(8) . . ? C012 Ag04 Ag04 125.2(8) . 6_565 ? C012 Ag04 Ag05 115.2(8) . 5_666 ? C012 Ag04 Ag09 62.7(8) . . ? C012 Ag04 Ag0B 66.6(8) . . ? C012 Ag04 Ag0D 62.4(8) . . ? C012 Ag04 Ag0E 54.1(7) . . ? C012 Ag04 Ag1 53.7(8) . . ? Ag1 Ag04 Ag09 59.19(7) . . ? Ag1 Ag04 Ag0B 105.38(7) . . ? Ag1 Ag04 Ag0D 110.86(7) . . ? Ag1 Ag04 Ag0E 65.00(7) . . ? Ag01 Ag05 Ag02 57.94(5) . . ? Ag01 Ag05 Ag03 58.39(4) . . ? Ag01 Ag05 Ag03 58.39(4) . 6_565 ? Ag01 Ag05 Ag04 58.20(4) . 5_666 ? Ag01 Ag05 Ag04 58.20(4) . 2_656 ? Ag01 Ag05 Ag06 121.40(8) . . ? Ag01 Ag05 Ag0C 121.05(6) . . ? Ag01 Ag05 Ag0C 121.05(6) . 6_565 ? Ag01 Ag05 Ag1 118.60(6) . 2_656 ? Ag01 Ag05 Ag1 118.60(6) . 5_666 ? Ag02 Ag05 Ag06 63.45(7) . . ? Ag02 Ag05 Ag0C 90.39(6) . . ? Ag02 Ag05 Ag0C 90.39(6) . 6_565 ? Ag02 Ag05 Ag1 150.47(4) . 5_666 ? Ag02 Ag05 Ag1 150.47(4) . 2_656 ? Ag03 Ag05 Ag02 59.62(4) . . ? Ag03 Ag05 Ag02 59.62(4) 6_565 . ? Ag03 Ag05 Ag03 107.84(8) . 6_565 ? Ag03 Ag05 Ag04 108.38(7) 6_565 2_656 ? Ag03 Ag05 Ag04 59.97(4) 6_565 5_666 ? Ag03 Ag05 Ag04 108.38(7) . 5_666 ? Ag03 Ag05 Ag04 59.97(4) . 2_656 ? Ag03 Ag05 Ag06 92.51(5) 6_565 . ? Ag03 Ag05 Ag06 92.51(5) . . ? Ag03 Ag05 Ag0C 62.74(5) 6_565 6_565 ? Ag03 Ag05 Ag0C 62.74(5) . . ? Ag03 Ag05 Ag0C 146.06(7) . 6_565 ? Ag03 Ag05 Ag0C 146.06(7) 6_565 . ? Ag03 Ag05 Ag1 92.76(5) . 2_656 ? Ag03 Ag05 Ag1 92.76(5) 6_565 5_666 ? Ag03 Ag05 Ag1 147.57(6) . 5_666 ? Ag03 Ag05 Ag1 147.57(6) 6_565 2_656 ? Ag04 Ag05 Ag02 107.45(7) 5_666 . ? Ag04 Ag05 Ag02 107.45(7) 2_656 . ? Ag04 Ag05 Ag04 60.62(6) 5_666 2_656 ? Ag04 Ag05 Ag06 149.12(3) 5_666 . ? Ag04 Ag05 Ag06 149.12(3) 2_656 . ? Ag04 Ag05 Ag0C 152.78(6) 2_656 6_565 ? Ag04 Ag05 Ag0C 94.88(5) 5_666 6_565 ? Ag04 Ag05 Ag0C 94.88(5) 2_656 . ? Ag04 Ag05 Ag0C 152.78(6) 5_666 . ? Ag04 Ag05 Ag1 90.21(6) 5_666 2_656 ? Ag04 Ag05 Ag1 60.44(5) 5_666 5_666 ? Ag04 Ag05 Ag1 60.44(5) 2_656 2_656 ? Ag04 Ag05 Ag1 90.21(6) 2_656 5_666 ? Ag0C Ag05 Ag06 57.48(5) 6_565 . ? Ag0C Ag05 Ag06 57.48(5) . . ? Ag0C Ag05 Ag0C 105.63(10) . 6_565 ? Ag0C Ag05 Ag1 111.98(8) . 5_666 ? Ag0C Ag05 Ag1 65.78(6) . 2_656 ? Ag0C Ag05 Ag1 111.98(8) 6_565 2_656 ? Ag0C Ag05 Ag1 65.78(6) 6_565 5_666 ? Ag1 Ag05 Ag06 111.78(8) 5_666 . ? Ag1 Ag05 Ag06 111.78(8) 2_656 . ? Ag1 Ag05 Ag1 59.00(9) 5_666 2_656 ? Ag05 Ag06 Ag02 54.12(6) . . ? Ag08 Ag06 Ag02 57.35(6) . . ? Ag08 Ag06 Ag02 57.35(6) 6_565 . ? Ag08 Ag06 Ag05 85.31(6) 6_565 . ? Ag08 Ag06 Ag05 85.31(6) . . ? Ag08 Ag06 Ag08 104.52(12) . 6_565 ? Ag0C Ag06 Ag02 85.56(7) . . ? Ag0C Ag06 Ag02 85.56(7) 6_565 . ? Ag0C Ag06 Ag05 58.73(5) . . ? Ag0C Ag06 Ag05 58.72(5) 6_565 . ? Ag0C Ag06 Ag08 59.25(6) . . ? Ag0C Ag06 Ag08 139.99(10) . 6_565 ? Ag0C Ag06 Ag08 139.99(10) 6_565 . ? Ag0C Ag06 Ag08 59.26(6) 6_565 6_565 ? Ag0C Ag06 Ag0C 107.71(11) . 6_565 ? C00Y Ag06 Ag02 103.5(8) 6_565 . ? C00Y Ag06 Ag02 103.5(8) . . ? C00Y Ag06 Ag05 109.4(7) . . ? C00Y Ag06 Ag05 109.4(7) 6_565 . ? C00Y Ag06 Ag08 143.2(8) 6_565 . ? C00Y Ag06 Ag08 143.2(8) . 6_565 ? C00Y Ag06 Ag08 46.4(8) . . ? C00Y Ag06 Ag08 46.4(8) 6_565 6_565 ? C00Y Ag06 Ag0C 53.0(7) 6_565 6_565 ? C00Y Ag06 Ag0C 156.9(8) . 6_565 ? C00Y Ag06 Ag0C 156.9(8) 6_565 . ? C00Y Ag06 Ag0C 53.0(7) . . ? C00Y Ag06 C00Y 140.8(15) . 6_565 ? Ag03 Ag07 Ag03 54.54(6) 2_656 . ? Ag0D Ag07 Ag03 85.78(7) 2_656 . ? Ag0D Ag07 Ag03 58.44(5) 2_656 2_656 ? Ag0D Ag07 Ag03 58.44(5) . . ? Ag0D Ag07 Ag03 85.78(7) . 2_656 ? Ag0D Ag07 Ag0D 140.76(12) . 2_656 ? Ag0D Ag07 Ag0E 106.29(7) 2_656 . ? Ag0D Ag07 Ag0E 59.09(7) . . ? Ag0D Ag07 Ag0E 106.29(7) . 2_656 ? Ag0D Ag07 Ag0E 59.09(7) 2_656 2_656 ? Ag0E Ag07 Ag03 57.62(5) . 2_656 ? Ag0E Ag07 Ag03 85.32(7) 2_656 2_656 ? Ag0E Ag07 Ag03 57.62(5) 2_656 . ? Ag0E Ag07 Ag03 85.32(7) . . ? Ag0E Ag07 Ag0E 139.37(12) 2_656 . ? C00U Ag07 Ag03 108.4(8) . . ? C00U Ag07 Ag03 103.3(9) 2_656 . ? C00U Ag07 Ag03 103.3(9) . 2_656 ? C00U Ag07 Ag03 108.4(8) 2_656 2_656 ? C00U Ag07 Ag0D 52.2(8) . . ? C00U Ag07 Ag0D 145.0(9) . 2_656 ? C00U Ag07 Ag0D 145.0(9) 2_656 . ? C00U Ag07 Ag0D 52.2(8) 2_656 2_656 ? C00U Ag07 Ag0E 155.1(9) 2_656 . ? C00U Ag07 Ag0E 46.1(9) . . ? C00U Ag07 Ag0E 155.1(9) . 2_656 ? C00U Ag07 Ag0E 46.1(9) 2_656 2_656 ? C00U Ag07 C00U 144.2(16) . 2_656 ? Ag02 Ag08 Ag03 56.78(4) . . ? Ag02 Ag08 Ag06 64.66(7) . . ? Ag02 Ag08 Ag0D 86.76(7) . . ? Ag03 Ag08 Ag0D 55.96(5) . . ? Ag06 Ag08 Ag03 92.45(7) . . ? Ag06 Ag08 Ag0D 146.62(8) . . ? Ag0C Ag08 Ag02 90.03(6) . . ? Ag0C Ag08 Ag03 61.43(6) . . ? Ag0C Ag08 Ag06 60.00(7) . . ? Ag0C Ag08 Ag0D 105.82(8) . . ? C00Y Ag08 Ag02 110.1(6) . . ? C00Y Ag08 Ag03 113.6(7) . . ? C00Y Ag08 Ag06 45.8(7) . . ? C00Y Ag08 Ag0C 53.4(7) . . ? C00Y Ag08 Ag0D 151.5(7) . . ? C00Y Ag08 C013 104.5(10) . . ? C00Y Ag08 O31 99.9(9) . . ? C013 Ag08 Ag02 98.5(6) . . ? C013 Ag08 Ag03 41.8(5) . . ? C013 Ag08 Ag06 115.9(6) . . ? C013 Ag08 Ag0C 58.7(7) . . ? C013 Ag08 Ag0D 48.8(7) . . ? O31 Ag08 Ag02 138.4(8) . . ? O31 Ag08 Ag03 134.0(5) . . ? O31 Ag08 Ag06 133.4(5) . . ? O31 Ag08 Ag0C 131.5(8) . . ? O31 Ag08 Ag0D 79.4(5) . . ? O31 Ag08 C013 101.2(8) . . ? C37 Ag08 Ag02 47.4(10) . . ? C37 Ag08 Ag03 102.4(10) . . ? C37 Ag08 Ag06 70.7(14) . . ? C37 Ag08 Ag0C 126.0(13) . . ? C37 Ag08 Ag0D 103.2(14) . . ? C37 Ag08 C00Y 105.2(16) . . ? C37 Ag08 C013 141.1(13) . . ? C37 Ag08 O31 98.0(13) . . ? Ag04 Ag09 Ag04 53.57(6) . 6_565 ? Ag0B Ag09 Ag04 85.85(9) . 6_565 ? Ag0B Ag09 Ag04 85.85(9) 6_565 . ? Ag0B Ag09 Ag04 58.41(6) . . ? Ag0B Ag09 Ag04 58.41(6) 6_565 6_565 ? Ag0B Ag09 Ag0B 60.11(10) . 6_565 ? Ag0B Ag09 Ag1 138.41(10) . 6_565 ? Ag0B Ag09 Ag1 105.18(7) . . ? Ag0B Ag09 Ag1 138.41(10) 6_565 . ? Ag0B Ag09 Ag1 105.17(7) 6_565 6_565 ? C00H Ag09 Ag04 110.9(10) . 6_565 ? C00H Ag09 Ag04 110.9(9) . . ? C00H Ag09 Ag0B 53.2(8) . . ? C00H Ag09 Ag0B 53.2(8) . 6_565 ? C00H Ag09 Ag1 150.91(8) . 6_565 ? C00H Ag09 Ag1 150.91(8) . . ? C00H Ag09 C29 146.0(14) . . ? Ag1 Ag09 Ag04 83.29(7) . 6_565 ? Ag1 Ag09 Ag04 56.34(5) . . ? Ag1 Ag09 Ag04 56.34(5) 6_565 6_565 ? Ag1 Ag09 Ag04 83.29(7) 6_565 . ? Ag1 Ag09 Ag1 58.07(9) . 6_565 ? C29 Ag09 Ag04 99.4(7) . 6_565 ? C29 Ag09 Ag04 99.4(7) . . ? C29 Ag09 Ag0B 147.8(3) . 6_565 ? C29 Ag09 Ag0B 147.8(3) . . ? C29 Ag09 Ag1 45.0(6) . . ? C29 Ag09 Ag1 45.0(6) . 6_565 ? Ag02 Ag0B Ag0D 84.41(5) . . ? Ag04 Ag0B Ag02 55.93(5) . . ? Ag04 Ag0B Ag0D 57.16(5) . . ? Ag09 Ag0B Ag02 93.23(7) . . ? Ag09 Ag0B Ag04 65.80(6) . . ? Ag09 Ag0B Ag0B 59.95(5) . 6_565 ? Ag09 Ag0B Ag0D 111.66(8) . . ? Ag0B Ag0B Ag02 61.83(4) 6_565 . ? Ag0B Ag0B Ag04 89.79(4) 6_565 . ? Ag0B Ag0B Ag0D 143.14(4) 6_565 . ? C00H Ag0B Ag02 112.4(5) . . ? C00H Ag0B Ag04 109.9(8) . . ? C00H Ag0B Ag09 44.8(9) . . ? C00H Ag0B Ag0B 51.7(5) . 6_565 ? C00H Ag0B Ag0D 149.2(9) . . ? C37 Ag0B Ag02 45.0(9) . . ? C37 Ag0B Ag04 99.3(8) . . ? C37 Ag0B Ag09 125.6(13) . . ? C37 Ag0B Ag0B 68.6(13) . 6_565 ? C37 Ag0B Ag0D 98.7(11) . . ? C37 Ag0B C00H 111.4(15) . . ? O4 Ag0B Ag02 140.7(5) . . ? O4 Ag0B Ag04 135.5(6) . . ? O4 Ag0B Ag09 126.1(5) . . ? O4 Ag0B Ag0B 134.4(6) . 6_565 ? O4 Ag0B Ag0D 81.0(5) . . ? O4 Ag0B C00H 98.2(7) . . ? O4 Ag0B C37 101.7(12) . . ? Ag03 Ag0C Ag0E 55.91(6) . 2_656 ? Ag03 Ag0C Ag1 84.44(6) . 2_656 ? Ag05 Ag0C Ag03 56.33(5) . . ? Ag05 Ag0C Ag0E 85.66(6) . 2_656 ? Ag05 Ag0C Ag1 57.18(6) . 2_656 ? Ag06 Ag0C Ag03 92.53(8) . . ? Ag06 Ag0C Ag05 63.80(6) . . ? Ag06 Ag0C Ag0E 145.79(9) . 2_656 ? Ag06 Ag0C Ag1 109.92(8) . 2_656 ? Ag08 Ag0C Ag03 60.84(6) . . ? Ag08 Ag0C Ag05 88.85(7) . . ? Ag08 Ag0C Ag06 60.75(7) . . ? Ag08 Ag0C Ag0E 106.30(9) . 2_656 ? Ag08 Ag0C Ag1 142.03(8) . 2_656 ? C00Y Ag0C Ag03 106.3(7) . . ? C00Y Ag0C Ag05 107.2(6) . . ? C00Y Ag0C Ag06 45.6(6) . . ? C00Y Ag0C Ag08 46.5(7) . . ? C00Y Ag0C Ag0E 147.7(7) . 2_656 ? C00Y Ag0C Ag1 152.4(7) . 2_656 ? Ag1 Ag0C Ag0E 59.03(6) 2_656 2_656 ? O75 Ag0C Ag03 141.9(10) 2_656 . ? O75 Ag0C Ag05 137.8(10) 2_656 . ? O75 Ag0C Ag06 125.5(10) 2_656 . ? O75 Ag0C Ag08 132.9(10) 2_656 . ? O75 Ag0C Ag0E 87.2(10) 2_656 2_656 ? O75 Ag0C C00Y 100.7(12) 2_656 . ? O75 Ag0C Ag1 83.8(10) 2_656 2_656 ? Ag03 Ag0D Ag04 56.41(5) . . ? Ag03 Ag0D Ag08 57.38(5) . . ? Ag03 Ag0D Ag0B 86.48(6) . . ? Ag04 Ag0D Ag08 84.47(6) . . ? Ag04 Ag0D Ag0B 55.78(5) . . ? Ag07 Ag0D Ag03 64.18(6) . . ? Ag07 Ag0D Ag04 92.58(7) . . ? Ag07 Ag0D Ag08 110.68(8) . . ? Ag07 Ag0D Ag0B 146.33(8) . . ? Ag08 Ag0D Ag0B 59.93(7) . . ? Ag0E Ag0D Ag03 89.52(6) . . ? Ag0E Ag0D Ag04 60.83(6) . . ? Ag0E Ag0D Ag07 61.15(6) . . ? Ag0E Ag0D Ag08 142.49(7) . . ? Ag0E Ag0D Ag0B 105.05(9) . . ? C00U Ag0D Ag03 107.6(6) . . ? C00U Ag0D Ag04 106.3(8) . . ? C00U Ag0D Ag07 45.6(7) . . ? C00U Ag0D Ag08 153.0(8) . . ? C00U Ag0D Ag0B 146.3(9) . . ? C00U Ag0D Ag0E 46.6(8) . . ? C00U Ag0D C013 102.1(10) . . ? C013 Ag0D Ag03 42.7(5) . . ? C013 Ag0D Ag04 98.9(5) . . ? C013 Ag0D Ag07 61.2(6) . . ? C013 Ag0D Ag08 51.2(6) . . ? C013 Ag0D Ag0B 108.5(6) . . ? C013 Ag0D Ag0E 116.9(7) . . ? O33 Ag0D Ag03 142.6(5) . . ? O33 Ag0D Ag04 133.8(6) . . ? O33 Ag0D Ag07 132.8(5) . . ? O33 Ag0D Ag08 86.0(4) . . ? O33 Ag0D Ag0B 80.5(5) . . ? O33 Ag0D Ag0E 127.7(5) . . ? O33 Ag0D C00U 102.4(7) . . ? O33 Ag0D C013 109.6(9) . . ? Ag03 Ag0E Ag04 56.99(4) 2_656 . ? Ag03 Ag0E Ag07 63.93(6) 2_656 . ? Ag03 Ag0E Ag0C 58.47(6) 2_656 2_656 ? Ag03 Ag0E Ag1 86.71(7) 2_656 . ? Ag04 Ag0E Ag0C 86.72(6) . 2_656 ? Ag04 Ag0E Ag1 56.46(6) . . ? Ag07 Ag0E Ag04 92.10(8) . . ? Ag07 Ag0E Ag0C 110.87(7) . 2_656 ? Ag07 Ag0E Ag1 146.34(9) . . ? Ag0D Ag0E Ag03 89.68(7) . 2_656 ? Ag0D Ag0E Ag04 61.38(6) . . ? Ag0D Ag0E Ag07 59.76(7) . . ? Ag0D Ag0E Ag0C 144.73(8) . 2_656 ? Ag0D Ag0E Ag1 106.85(8) . . ? C00U Ag0E Ag03 108.8(8) . 2_656 ? C00U Ag0E Ag04 112.6(8) . . ? C00U Ag0E Ag07 45.3(7) . . ? C00U Ag0E Ag0C 147.0(7) . 2_656 ? C00U Ag0E Ag0D 52.5(8) . . ? C00U Ag0E C012 105.5(10) . . ? C00U Ag0E Ag1 152.4(7) . . ? C00U Ag0E O74 96.7(11) . . ? C012 Ag0E Ag03 100.7(5) . 2_656 ? C012 Ag0E Ag04 44.0(5) . . ? C012 Ag0E Ag07 118.7(7) . . ? C012 Ag0E Ag0C 106.8(7) . 2_656 ? C012 Ag0E Ag0D 61.4(7) . . ? C012 Ag0E Ag1 48.0(7) . . ? Ag1 Ag0E Ag0C 60.49(7) . 2_656 ? O74 Ag0E Ag03 138.3(8) . 2_656 ? O74 Ag0E Ag04 140.2(8) . . ? O74 Ag0E Ag07 127.6(8) . . ? O74 Ag0E Ag0C 82.1(8) . 2_656 ? O74 Ag0E Ag0D 131.8(8) . . ? O74 Ag0E C012 103.7(10) . . ? O74 Ag0E Ag1 85.1(8) . . ? Ag09 C00H Ag0B 82.0(9) . 6_565 ? Ag09 C00H Ag0B 82.0(9) . . ? Ag0B C00H Ag0B 76.6(11) . 6_565 ? C00I C00H Ag09 148(5) . . ? C00I C00H Ag0B 122(3) . . ? C00I C00H Ag0B 122(3) . 6_565 ? C00H C00I C011 169(6) . . ? C91 C00L C6AA 105(3) . . ? C91 C00L C22 98(3) . . ? C91 C00L C17 99(2) . . ? C91 C00L C6AB 106(3) . . ? C91 C00L C17A 101(3) . . ? C91 C00L C22A 107(3) . . ? C6AA C00L C22 134(4) . . ? C17 C00L C6AA 121(3) . . ? C17 C00L C22 93(4) . . ? C17A C00L C6AB 125(5) . . ? C22A C00L C6AB 84(5) . . ? C22A C00L C17A 132(5) . . ? Ag07 C00U Ag0D 82.2(10) . . ? Ag07 C00U Ag0E 88.6(9) . . ? Ag0E C00U Ag0D 80.9(9) . . ? C00X C00U Ag07 136(3) . . ? C00X C00U Ag0D 122(3) . . ? C00X C00U Ag0E 129(4) . . ? C00U C00X C44 169(4) . . ? Ag06 C00Y Ag08 87.8(10) . . ? Ag06 C00Y Ag0C 81.3(8) . . ? Ag08 C00Y Ag0C 80.2(9) . . ? C73 C00Y Ag06 133(3) . . ? C73 C00Y Ag08 132(3) . . ? C73 C00Y Ag0C 123(3) . . ? C00I C011 C7AA 93(4) . . ? C1AA C011 C00I 110(2) . . ? C1AA C011 C00I 110(2) 6_565 . ? C1AA C011 C1AA 119(4) 6_565 . ? C1AA C011 C7AA 111(3) . . ? C1AA C011 C7AA 111(3) 6_565 . ? Ag04 C012 Ag0E 82.0(8) . . ? Ag04 C012 Ag1 81.2(8) . . ? C91 C012 Ag04 155(3) . . ? C91 C012 Ag0E 115(2) . . ? C91 C012 Ag1 118(3) . . ? Ag1 C012 Ag0E 82.3(9) . . ? Ag03 C013 Ag08 80.0(8) . . ? Ag03 C013 Ag0D 80.6(10) . . ? Ag0D C013 Ag08 80.0(8) . . ? C55 C013 Ag03 178(3) . . ? C55 C013 Ag08 102(3) . . ? C55 C013 Ag0D 100(3) . . ? C73 C0AA C5AA 107(3) . . ? C73 C0AA C9 102(3) . . ? C5AA C0AA C9 106(4) . . ? C7 C0AA C73 126(4) . . ? C7 C0AA C5AA 94(4) . . ? C7 C0AA C9 120(5) . . ? C00Y C73 C0AA 176(4) . . ? C36 C31 C1BA 87(3) . . ? C36 C31 C47 117(3) . . ? C55 C31 C36 111(3) . . ? C55 C31 C1BA 109(3) . . ? C55 C31 C47 110(3) . . ? C1BA C31 C47 123(4) . . ? C012 C91 C00L 161(3) . . ? Ag04 Ag1 Ag05 57.37(5) . 5_666 ? Ag04 Ag1 Ag09 64.48(7) . . ? Ag04 Ag1 Ag0C 87.87(6) . 2_656 ? Ag04 Ag1 Ag0E 58.55(6) . . ? Ag04 Ag1 Ag1 89.30(5) . 6_565 ? Ag05 Ag1 Ag09 93.43(7) 5_666 . ? Ag05 Ag1 Ag0C 57.04(5) 5_666 2_656 ? Ag05 Ag1 Ag0E 86.43(6) 5_666 . ? Ag09 Ag1 Ag0C 148.35(9) . 2_656 ? Ag09 Ag1 Ag0E 111.20(9) . . ? Ag0E Ag1 Ag0C 60.48(6) . 2_656 ? C012 Ag1 Ag04 45.2(5) . . ? C012 Ag1 Ag05 102.0(5) . 5_666 ? C012 Ag1 Ag09 63.4(7) . . ? C012 Ag1 Ag0C 108.4(6) . 2_656 ? C012 Ag1 Ag0E 49.7(6) . . ? C012 Ag1 Ag1 119.5(6) . 6_565 ? Ag1 Ag1 Ag05 60.50(4) 6_565 5_666 ? Ag1 Ag1 Ag09 60.97(5) 6_565 . ? Ag1 Ag1 Ag0C 106.21(5) 6_565 2_656 ? Ag1 Ag1 Ag0E 143.83(5) 6_565 . ? C29 Ag1 Ag04 105.9(11) . . ? C29 Ag1 Ag05 105.9(6) . 5_666 ? C29 Ag1 Ag09 43.6(11) . . ? C29 Ag1 Ag0C 147.8(8) . 2_656 ? C29 Ag1 Ag0E 151.2(9) . . ? C29 Ag1 C012 101.7(11) . . ? C29 Ag1 Ag1 46.7(5) . 6_565 ? C29 Ag1 C4 104.7(14) . . ? C4 Ag1 Ag04 100.5(12) . . ? C4 Ag1 Ag05 44.1(13) . 5_666 ? C4 Ag1 Ag09 123.6(14) . . ? C4 Ag1 Ag0C 43.4(12) . 2_656 ? C4 Ag1 Ag0E 102.2(11) . . ? C4 Ag1 C012 141.8(12) . . ? C4 Ag1 Ag1 65.2(13) . 6_565 ? O51 Ag1 Ag04 140.9(9) . . ? O51 Ag1 Ag05 143.3(8) . 5_666 ? O51 Ag1 Ag09 122.7(7) . . ? O51 Ag1 Ag0C 88.3(6) . 2_656 ? O51 Ag1 Ag0E 86.0(6) . . ? O51 Ag1 C012 100.2(11) . . ? O51 Ag1 Ag1 129.0(7) . 6_565 ? O51 Ag1 C29 97.8(10) . . ? O51 Ag1 C4 103.1(17) . . ? Ag09 C29 Ag1 91.5(13) . 6_565 ? Ag09 C29 Ag1 91.5(13) . . ? Ag1 C29 Ag1 86.7(10) . 6_565 ? C8AA C29 Ag09 119(3) . . ? C8AA C29 Ag1 128.5(17) . 6_565 ? C8AA C29 Ag1 128.5(17) . . ? C29 C8AA C3AA 178(4) . . ? C0BA S8 O4 109.9(14) . . ? C0BA S8 O33 108.9(13) . . ? O31 S8 C0BA 100.4(16) . . ? O31 S8 O4 123.2(15) . . ? O31 S8 O33 117.2(14) . . ? O4 S8 O33 97.0(13) . . ? F31 C0BA S8 77(7) . . ? F31 C0BA F36 94(2) . . ? F31 C0BA F43 94(2) . . ? F36 C0BA S8 109(7) . . ? F36 C0BA F43 93(2) . . ? F43 C0BA S8 156(7) . . ? F31A C0BA S8 126(2) . . ? F31A C0BA F43A 92.6(16) . . ? F36A C0BA S8 108.2(19) . . ? F36A C0BA F31A 93.4(17) . . ? F36A C0BA F43A 94.6(18) . . ? F43A C0BA S8 132(2) . . ? S8 O31 Ag08 117.7(15) . . ? C013 C55 C31 175(4) . . ? C35 C24 C35 46(3) . 6_565 ? C35 C24 C2AA 107(3) . 6_565 ? C35 C24 C2AA 107(3) 6_565 . ? C35 C24 C2AA 107(3) . . ? C35 C24 C2AA 107(3) 6_565 6_565 ? C35 C24 C2 101(2) . . ? C35 C24 C2 101(2) 6_565 6_565 ? C35 C24 C2 146(3) . 6_565 ? C35 C24 C2 146(3) 6_565 . ? C35 C24 C19 134(3) 6_565 . ? C35 C24 C19 134(3) . . ? C35 C24 C19 134(3) . 6_565 ? C35 C24 C19 134(3) 6_565 6_565 ? C2AA C24 C2AA 0(5) 6_565 . ? C2AA C24 C2 86(2) 6_565 6_565 ? C2AA C24 C2 86(2) . 6_565 ? C2AA C24 C2 86(2) 6_565 . ? C2AA C24 C2 86(2) . . ? C2AA C24 C19 113(4) 6_565 6_565 ? C2AA C24 C19 113(4) 6_565 . ? C2AA C24 C19 113(4) . . ? C2AA C24 C19 113(4) . 6_565 ? C2 C24 C2 111(4) 6_565 . ? C19 C24 C2 61(2) . . ? C19 C24 C2 61(2) 6_565 6_565 ? C19 C24 C2 61(2) . 6_565 ? C19 C24 C2 61(2) 6_565 . ? C19 C24 C19 0(4) 6_565 . ? O74 S13 O75 112.1(18) . . ? O74 S13 O51 115.7(17) . . ? C18 S13 O74 107(2) . . ? C18 S13 O75 105(2) . . ? C18 S13 O51 103(2) . . ? O51 S13 O75 113(2) . . ? C2AA C2AA C24 0(10) 6_565 . ? C2AA C2AA C37 0(10) 6_565 . ? C37 C2AA C24 148(3) . . ? Ag02 C37 Ag0B 86.5(16) . . ? Ag08 C37 Ag02 86.2(13) . . ? Ag08 C37 Ag0B 96(2) . . ? C2AA C37 Ag02 132(4) . . ? C2AA C37 Ag08 129(4) . . ? C2AA C37 Ag0B 116(4) . . ? C8AA C3AA C8 107(4) . . ? C6 C3AA C8AA 109(4) 6_565 . ? C6 C3AA C8AA 109(4) . . ? C6 C3AA C8 119(3) . . ? C6 C3AA C8 119(3) 6_565 . ? C6 C3AA C6 93(7) . 6_565 ? C00X C44 C58 106(4) . . ? C00X C44 C62 112(4) . . ? C00X C44 C68 102(3) . . ? C00X C44 C62A 64(3) . . ? C00X C44 C68A 99(3) . . ? C00X C44 C58A 119(4) . . ? C58 C44 C62 86(3) . . ? C58 C44 C68 134(5) . . ? C62 C44 C68 116(4) . . ? C68A C44 C62A 87(3) . . ? C58A C44 C62A 86(3) . . ? C58A C44 C68A 132(4) . . ? S13 O74 Ag0E 112.6(15) . . ? C3AA C6 C6 43(4) . 6_565 ? S13 O75 Ag0C 108.2(18) . 2_656 ? C4 C1 C3 152(3) . . ? C13 C3 C1 106(4) . . ? C48 C3 C1 107(4) 6_565 . ? C48 C3 C1 107(4) . . ? C48 C3 C13 133(4) . . ? C48 C3 C13 133(4) 6_565 . ? C48 C3 C48 65(7) . 6_565 ? C1 C4 Ag1 109(3) . . ? S8 O4 Ag0B 113.1(11) . . ? C24 C19 C2 64(2) . 6_565 ? C19 C19 C24 0(10) 6_565 . ? C19 C19 C2 0(10) 6_565 6_565 ? S13 C18 C5 113(4) . . ? C11 C18 S13 117(4) . . ? C11 C18 C5 98(4) . . ? C11 C18 C40 100(5) . . ? C40 C18 S13 122(4) . . ? C40 C18 C5 102(3) . . ? S13 O51 Ag1 109.5(12) . . ? S8 O33 Ag0D 111.3(8) . . ? 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 Ag01 Ag02 2.7689(14) 5_666 ? Ag01 Ag02 2.7689(14) . ? Ag01 Ag03 2.7764(12) 6_565 ? Ag01 Ag03 2.7764(12) 5_666 ? Ag01 Ag03 2.7763(12) . ? Ag01 Ag03 2.7764(12) 2_656 ? Ag01 Ag04 2.7703(12) 5_666 ? Ag01 Ag04 2.7704(11) . ? Ag01 Ag04 2.7703(11) 6_565 ? Ag01 Ag04 2.7703(11) 2_656 ? Ag01 Ag05 2.7744(19) . ? Ag01 Ag05 2.7744(19) 5_666 ? Ag02 Ag03 2.9066(14) 6_565 ? Ag02 Ag03 2.9065(14) . ? Ag02 Ag04 2.904(2) 6_565 ? Ag02 Ag04 2.904(2) . ? Ag02 Ag05 2.935(2) . ? Ag02 Ag06 3.240(3) . ? Ag02 Ag08 3.019(2) 6_565 ? Ag02 Ag08 3.019(2) . ? Ag02 Ag0B 3.141(2) 6_565 ? Ag02 Ag0B 3.141(2) . ? Ag02 C37 2.23(4) . ? Ag03 Ag03 2.946(3) 2_656 ? Ag03 Ag04 2.9127(15) 2_656 ? Ag03 Ag04 2.903(2) . ? Ag03 Ag05 2.9121(17) . ? Ag03 Ag07 3.214(3) . ? Ag03 Ag08 3.093(2) . ? Ag03 Ag0C 3.110(3) . ? Ag03 Ag0D 3.043(2) . ? Ag03 Ag0E 3.022(2) 2_656 ? Ag03 C013 2.09(2) . ? Ag04 Ag03 2.9128(15) 2_656 ? Ag04 Ag04 2.943(3) 6_565 ? Ag04 Ag05 2.9160(19) 5_666 ? Ag04 Ag09 3.265(3) . ? Ag04 Ag0B 3.0498(19) . ? Ag04 Ag0D 3.099(2) . ? Ag04 Ag0E 3.083(2) . ? Ag04 C012 2.16(2) . ? Ag04 Ag1 3.012(2) . ? Ag05 Ag03 2.9121(17) 6_565 ? Ag05 Ag04 2.9159(19) 2_656 ? Ag05 Ag04 2.9159(19) 5_666 ? Ag05 Ag06 3.211(3) . ? Ag05 Ag0C 3.058(2) . ? Ag05 Ag0C 3.058(2) 6_565 ? Ag05 Ag1 3.063(2) 2_656 ? Ag05 Ag1 3.063(2) 5_666 ? Ag06 Ag08 3.040(3) . ? Ag06 Ag08 3.040(3) 6_565 ? Ag06 Ag0C 3.017(3) . ? Ag06 Ag0C 3.017(3) 6_565 ? Ag06 C00Y 2.18(2) 6_565 ? Ag06 C00Y 2.18(2) . ? Ag07 Ag03 3.214(3) 2_656 ? Ag07 Ag0D 3.008(2) . ? Ag07 Ag0D 3.008(2) 2_656 ? Ag07 Ag0E 3.049(3) . ? Ag07 Ag0E 3.049(3) 2_656 ? Ag07 C00U 2.17(3) . ? Ag07 C00U 2.17(3) 2_656 ? Ag08 Ag0C 2.994(3) . ? Ag08 Ag0D 3.372(3) . ? Ag08 C00Y 2.20(3) . ? Ag08 C013 2.67(3) . ? Ag08 O31 2.34(2) . ? Ag08 C37 2.19(5) . ? Ag09 Ag04 3.266(3) 6_565 ? Ag09 Ag0B 2.961(4) 6_565 ? Ag09 Ag0B 2.961(4) . ? Ag09 C00H 2.11(4) . ? Ag09 Ag1 3.108(3) 6_565 ? Ag09 Ag1 3.108(3) . ? Ag09 C29 2.14(4) . ? Ag0B Ag0B 2.966(4) 6_565 ? Ag0B Ag0D 3.397(3) . ? Ag0B C00H 2.39(3) . ? Ag0B C37 2.36(5) . ? Ag0B O4 2.22(2) . ? Ag0C Ag0E 3.324(3) 2_656 ? Ag0C C00Y 2.44(3) . ? Ag0C Ag1 3.324(3) 2_656 ? Ag0C O75 2.28(4) 2_656 ? Ag0D Ag0E 2.987(3) . ? Ag0D C00U 2.40(3) . ? Ag0D C013 2.58(3) . ? Ag0D O33 2.290(17) . ? Ag0E Ag03 3.022(2) 2_656 ? Ag0E Ag0C 3.323(3) 2_656 ? Ag0E C00U 2.20(3) . ? Ag0E C012 2.52(3) . ? Ag0E Ag1 3.275(3) . ? Ag0E O74 2.26(3) . ? C00H Ag0B 2.39(3) 6_565 ? C00H C00I 1.07(4) . ? C00I C011 1.64(4) . ? C00L C91 1.58(2) . ? C00L C6AA 1.59(2) . ? C00L C22 1.59(2) . ? C00L C17 1.59(2) . ? C00L C6AB 1.60(2) . ? C00L C17A 1.59(2) . ? C00L C22A 1.59(3) . ? C00U C00X 1.15(3) . ? C00X C44 1.52(2) . ? C00Y C73 1.09(3) . ? C011 C1AA 1.44(4) 6_565 ? C011 C1AA 1.44(4) . ? C011 C7AA 1.66(8) . ? C012 C91 1.14(3) . ? C012 Ag1 2.46(3) . ? C013 C55 1.09(3) . ? C0AA C73 1.46(4) . ? C0AA C5AA 1.56(4) . ? C0AA C7 1.08(5) . ? C0AA C9 1.74(6) . ? C31 C36 1.51(3) . ? C31 C55 1.51(3) . ? C31 C1BA 1.598(10) . ? C31 C47 1.62(5) . ? Ag1 Ag05 3.063(2) 5_666 ? Ag1 Ag0C 3.324(3) 2_656 ? Ag1 Ag1 3.017(4) 6_565 ? Ag1 C29 2.20(2) . ? Ag1 C4 2.36(5) . ? Ag1 O51 2.19(2) . ? C29 Ag1 2.20(2) 6_565 ? C29 C8AA 1.34(5) . ? C8AA C3AA 1.49(6) . ? S8 C0BA 1.506(15) . ? S8 O31 1.47(3) . ? S8 O4 1.783(10) . ? S8 O33 1.789(10) . ? F31 C0BA 1.50(2) . ? F36 C0BA 1.50(2) . ? C0BA F43 1.50(2) . ? C0BA F31A 1.499(17) . ? C0BA F36A 1.492(18) . ? C0BA F43A 1.502(17) . ? C24 C35 1.54(4) 6_565 ? C24 C35 1.54(4) . ? C24 C2AA 1.57(5) . ? C24 C2AA 1.57(5) 6_565 ? C24 C2 1.79(5) . ? C24 C2 1.79(5) 6_565 ? C24 C19 1.65(7) . ? C24 C19 1.65(7) 6_565 ? S13 O74 1.68(4) . ? S13 O75 1.83(4) . ? S13 C18 1.56(5) . ? S13 O51 1.795(10) . ? C2AA C2AA 0.00(12) 6_565 ? C2AA C37 1.19(5) . ? C3AA C8 1.54(6) . ? C3AA C6 1.29(5) . ? C3AA C6 1.29(5) 6_565 ? C44 C58 1.53(3) . ? C44 C62 1.53(3) . ? C44 C68 1.54(3) . ? C44 C62A 1.54(3) . ? C44 C68A 1.53(3) . ? C44 C58A 1.53(3) . ? C6 C6 1.88(13) 6_565 ? O75 Ag0C 2.28(4) 2_656 ? C1 C3 1.63(6) . ? C1 C4 1.16(5) . ? C3 C13 1.59(8) . ? C3 C48 1.27(7) 6_565 ? C3 C48 1.27(7) . ? C5 C18 1.75(6) . ? C11 C18 1.51(7) . ? C19 C2 1.74(6) 6_565 ? C19 C19 0.00(15) 6_565 ? C18 C40 1.55(6) . ?