#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/97/7009715.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_7009715
loop_
_publ_author_name
'Haupt, Hans-Jürgen'
'Seewald, Oliver'
'Flörke, Ulrich'
'Buß, Volker'
'Weyhermüller, Thomas'
_publ_section_title
;
 Diastereomeric metallatetrahedron complexes of the type
 Re2(AgPR3)2(μ-PCy2)(CO)7Z (R = Et and Ph;
 Z = (−)- and (+)-camphanate): synthesis,
 structure and CD data
;
_journal_issue                   16
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2837
_journal_paper_doi               10.1039/b003013i
_journal_year                    2000
_chemical_formula_moiety         'C65 C65 Ag2 O11 P3 Re2, 1.5 C7 H8'
_chemical_formula_sum            'C75.5 H77 Ag2 O11 P3 Re2'
_chemical_formula_weight         1841.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.12(1)
_cell_angle_beta                 98.35(1)
_cell_angle_gamma                101.83(1)
_cell_formula_units_Z            2
_cell_length_a                   14.374(1)
_cell_length_b                   16.115(1)
_cell_length_c                   16.641(1)
_cell_measurement_reflns_used    28193
_cell_measurement_temperature    173(2)
_cell_volume                     3674.1(5)
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '679 images 1° in omega/40 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_sigmaI/netI    0.1236
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            91833
_diffrn_reflns_theta_full        33.19
_diffrn_reflns_theta_max         33.19
_diffrn_reflns_theta_min         2.51
_exptl_absorpt_coefficient_mu    3.931
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       block
_exptl_crystal_F_000             1814
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.221
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.008(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1613
_refine_ls_number_reflns         53396
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0997
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.630
_refine_ls_shift/su_mean         0.036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.1001
_reflns_number_gt                32403
_reflns_number_total             53396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b003013i.txt
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3674.1(4)
_cod_original_sg_symbol_H-M      'P 1 (No 1)'
_cod_original_formula_sum        'C75.50 H77 Ag2 O11 P3 Re2'
_cod_database_code               7009715
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Re11 Re 0.696488(17) 0.146224(15) 1.242367(14) 0.02185(6) Uani 1 1 d . . .
Re12 Re 0.903966(17) 0.277880(15) 1.261026(14) 0.02190(6) Uani 1 1 d . . .
Ag11 Ag 0.73994(3) 0.32455(3) 1.33128(3) 0.02362(10) Uani 1 1 d . . .
Ag12 Ag 0.83206(3) 0.21361(3) 1.40037(3) 0.02483(10) Uani 1 1 d . . .
P11 P 0.64543(11) 0.40340(10) 1.41009(9) 0.0242(3) Uani 1 1 d . . .
P12 P 0.87804(11) 0.19548(10) 1.54124(9) 0.0243(3) Uani 1 1 d . . .
P13 P 0.82531(11) 0.15046(10) 1.15893(9) 0.0215(3) Uani 1 1 d . . .
O101 O 0.7769(4) 0.0107(3) 1.3318(3) 0.0444(12) Uani 1 1 d . . .
C101 C 0.7494(4) 0.0605(4) 1.3010(3) 0.0213(12) Uani 1 1 d . . .
O102 O 0.6161(3) 0.2724(3) 1.1355(3) 0.0354(11) Uani 1 1 d . . .
C102 C 0.6484(4) 0.2281(4) 1.1760(4) 0.0266(13) Uani 1 1 d . . .
O103 O 0.5525(3) -0.0042(3) 1.1231(3) 0.0397(12) Uani 1 1 d . . .
C103 C 0.6091(4) 0.0524(4) 1.1693(4) 0.0308(14) Uani 1 1 d . . .
O104 O 0.5429(3) 0.1455(3) 1.3592(3) 0.0356(11) Uani 1 1 d . . .
C104 C 0.6048(5) 0.1501(4) 1.3169(4) 0.0323(15) Uani 1 1 d . . .
O105 O 0.9671(3) 0.4323(3) 1.4091(3) 0.0375(11) Uani 1 1 d . . .
C105 C 0.9407(5) 0.3773(4) 1.3549(4) 0.0348(16) Uani 1 1 d . . .
O106 O 1.0310(3) 0.1693(3) 1.3399(3) 0.0307(10) Uani 1 1 d . . .
C106 C 0.9801(4) 0.2077(4) 1.3144(4) 0.0250(13) Uani 1 1 d . . .
O107 O 1.0875(3) 0.3434(3) 1.1939(3) 0.0388(11) Uani 1 1 d . . .
C107 C 1.0197(4) 0.3196(3) 1.2177(3) 0.0219(12) Uani 1 1 d . . .
O108 O 0.8341(3) 0.3438(2) 1.1728(2) 0.0211(8) Uani 1 1 d . . .
C108 C 0.8014(4) 0.4112(4) 1.1899(3) 0.0231(12) Uani 1 1 d . . .
O109 O 0.7881(3) 0.4439(3) 1.2574(3) 0.0358(11) Uani 1 1 d . . .
O110 O 0.7564(3) 0.4038(3) 1.0390(3) 0.0371(11) Uani 1 1 d . . .
O111 O 0.7553(4) 0.4243(3) 0.9093(3) 0.0556(15) Uani 1 1 d . . .
C111 C 0.5602(4) 0.4364(4) 1.3400(3) 0.0209(12) Uani 1 1 d D . .
C112 C 0.5432(5) 0.5247(4) 1.3524(4) 0.0322(15) Uani 1 1 d D . .
H112 H 0.5791 0.5669 1.3981 0.039 Uiso 1 1 calc R . .
C113 C 0.4754(5) 0.5438(5) 1.2973(4) 0.0397(17) Uani 1 1 d D . .
H113 H 0.4641 0.6001 1.3062 0.048 Uiso 1 1 calc R . .
C114 C 0.4222(5) 0.4868(4) 1.2297(4) 0.0361(16) Uani 1 1 d D . .
H114 H 0.3750 0.5041 1.1936 0.043 Uiso 1 1 calc R . .
C115 C 0.4362(5) 0.4047(5) 1.2133(4) 0.0416(17) Uani 1 1 d D . .
H115 H 0.4004 0.3653 1.1656 0.050 Uiso 1 1 calc R . .
C116 C 0.5075(5) 0.3793(4) 1.2708(4) 0.0311(14) Uani 1 1 d D . .
H116 H 0.5178 0.3227 1.2605 0.037 Uiso 1 1 calc R . .
C121 C 0.7084(4) 0.4978(4) 1.4841(4) 0.0237(12) Uani 1 1 d D . .
C122 C 0.6865(4) 0.5198(4) 1.5605(4) 0.0292(14) Uani 1 1 d D . .
H122 H 0.6361 0.4813 1.5767 0.035 Uiso 1 1 calc R . .
C123 C 0.7327(4) 0.5944(4) 1.6154(4) 0.0299(14) Uani 1 1 d D . .
H123 H 0.7149 0.6045 1.6681 0.036 Uiso 1 1 calc R . .
C124 C 0.8014(4) 0.6516(4) 1.5955(4) 0.0340(15) Uani 1 1 d D . .
H124 H 0.8325 0.7034 1.6328 0.041 Uiso 1 1 calc R . .
C125 C 0.8277(5) 0.6332(4) 1.5157(4) 0.0369(16) Uani 1 1 d D . .
H125 H 0.8774 0.6729 1.4999 0.044 Uiso 1 1 calc R . .
C126 C 0.7816(5) 0.5597(5) 1.4634(4) 0.0392(17) Uani 1 1 d D . .
H126 H 0.7990 0.5491 1.4107 0.047 Uiso 1 1 calc R . .
C131 C 0.5721(4) 0.3376(4) 1.4684(3) 0.0244(13) Uani 1 1 d D . .
C132 C 0.6178(4) 0.2944(4) 1.5235(4) 0.0293(14) Uani 1 1 d D . .
H132 H 0.6861 0.3023 1.5309 0.035 Uiso 1 1 calc R . .
C133 C 0.5675(5) 0.2413(4) 1.5669(4) 0.0382(17) Uani 1 1 d D . .
H133 H 0.6000 0.2128 1.6044 0.046 Uiso 1 1 calc R . .
C134 C 0.4687(5) 0.2295(4) 1.5555(4) 0.0333(15) Uani 1 1 d D . .
H134 H 0.4331 0.1925 1.5857 0.040 Uiso 1 1 calc R . .
C135 C 0.4206(4) 0.2696(4) 1.5022(4) 0.0388(17) Uani 1 1 d D . .
H135 H 0.3523 0.2600 1.4955 0.047 Uiso 1 1 calc R . .
C136 C 0.4714(4) 0.3253(4) 1.4566(4) 0.0266(13) Uani 1 1 d D . .
H136 H 0.4383 0.3534 1.4191 0.032 Uiso 1 1 calc R . .
C141 C 0.8647(4) 0.2862(4) 1.6157(3) 0.0240(12) Uani 1 1 d D . .
C142 C 0.8867(4) 0.3653(4) 1.6008(4) 0.0256(13) Uani 1 1 d D . .
H142 H 0.9121 0.3762 1.5527 0.031 Uiso 1 1 calc R . .
C143 C 0.8724(4) 0.4332(4) 1.6563(4) 0.0330(15) Uani 1 1 d D . .
H143 H 0.8887 0.4898 1.6445 0.040 Uiso 1 1 calc R . .
C144 C 0.8372(4) 0.4229(4) 1.7249(3) 0.0270(13) Uani 1 1 d D . .
H144 H 0.8290 0.4706 1.7616 0.032 Uiso 1 1 calc R . .
C145 C 0.8124(5) 0.3379(4) 1.7409(4) 0.0410(17) Uani 1 1 d D . .
H145 H 0.7843 0.3278 1.7880 0.049 Uiso 1 1 calc R . .
C146 C 0.8286(4) 0.2691(4) 1.6888(3) 0.0266(13) Uani 1 1 d D . .
H146 H 0.8162 0.2125 1.7013 0.032 Uiso 1 1 calc R . .
C151 C 1.0039(4) 0.1826(4) 1.5672(3) 0.0216(12) Uani 1 1 d D . .
C152 C 1.0312(4) 0.1242(4) 1.5170(4) 0.0292(14) Uani 1 1 d D . .
H152 H 0.9860 0.0911 1.4704 0.035 Uiso 1 1 calc R . .
C153 C 1.1249(4) 0.1098(4) 1.5308(4) 0.0313(15) Uani 1 1 d D . .
H153 H 1.1436 0.0667 1.4958 0.038 Uiso 1 1 calc R . .
C154 C 1.1878(5) 0.1611(5) 1.5973(5) 0.0439(18) Uani 1 1 d D . .
H154 H 1.2530 0.1560 1.6071 0.053 Uiso 1 1 calc R . .
C155 C 1.1578(5) 0.2208(5) 1.6509(4) 0.0382(16) Uani 1 1 d D . .
H155 H 1.2016 0.2516 1.6993 0.046 Uiso 1 1 calc R . .
C156 C 1.0711(4) 0.2359(4) 1.6368(4) 0.0278(14) Uani 1 1 d D . .
H156 H 1.0535 0.2802 1.6712 0.033 Uiso 1 1 calc R . .
C161 C 0.8021(4) 0.0985(4) 1.5653(3) 0.0189(11) Uani 1 1 d D . .
C162 C 0.7124(4) 0.0718(4) 1.5253(4) 0.0301(14) Uani 1 1 d D . .
H162 H 0.6893 0.1017 1.4842 0.036 Uiso 1 1 calc R . .
C163 C 0.6493(5) -0.0017(5) 1.5428(4) 0.0447(18) Uani 1 1 d D . .
H163 H 0.5844 -0.0204 1.5143 0.054 Uiso 1 1 calc R . .
C164 C 0.6831(5) -0.0429(4) 1.5994(4) 0.0397(17) Uani 1 1 d D . .
H164 H 0.6433 -0.0935 1.6101 0.048 Uiso 1 1 calc R . .
C165 C 0.7764(5) -0.0127(5) 1.6431(4) 0.0417(18) Uani 1 1 d D . .
H165 H 0.7995 -0.0398 1.6865 0.050 Uiso 1 1 calc R . .
C166 C 0.8348(4) 0.0565(4) 1.6232(4) 0.0301(14) Uani 1 1 d D . .
H166 H 0.9001 0.0752 1.6509 0.036 Uiso 1 1 calc R . .
C171 C 0.7946(4) 0.1670(3) 1.0511(3) 0.0212(12) Uani 1 1 d . . .
H171 H 0.7528 0.2096 1.0536 0.025 Uiso 1 1 calc R . .
C172 C 0.7324(5) 0.0863(4) 0.9899(4) 0.0346(16) Uani 1 1 d . . .
H72A H 0.7725 0.0441 0.9801 0.042 Uiso 1 1 calc R . .
H72B H 0.6782 0.0592 1.0151 0.042 Uiso 1 1 calc R . .
C173 C 0.6937(4) 0.1065(5) 0.9113(4) 0.0367(16) Uani 1 1 d . . .
H73A H 0.6506 0.1463 0.9204 0.044 Uiso 1 1 calc R . .
H73B H 0.6546 0.0530 0.8749 0.044 Uiso 1 1 calc R . .
C174 C 0.7751(5) 0.1485(4) 0.8684(4) 0.0293(14) Uani 1 1 d . . .
H74A H 0.8154 0.1073 0.8549 0.035 Uiso 1 1 calc R . .
H74B H 0.7469 0.1643 0.8164 0.035 Uiso 1 1 calc R . .
C175 C 0.8367(5) 0.2286(4) 0.9266(4) 0.0367(16) Uani 1 1 d . . .
H75A H 0.7975 0.2719 0.9347 0.044 Uiso 1 1 calc R . .
H75B H 0.8918 0.2537 0.9013 0.044 Uiso 1 1 calc R . .
C176 C 0.8770(4) 0.2067(4) 1.0145(4) 0.0288(14) Uani 1 1 d . . .
H76A H 0.9200 0.1665 1.0074 0.035 Uiso 1 1 calc R . .
H76B H 0.9149 0.2601 1.0518 0.035 Uiso 1 1 calc R . .
C181 C 0.8840(4) 0.0575(4) 1.1613(3) 0.0270(14) Uani 1 1 d . . .
H81 H 0.9068 0.0598 1.2215 0.032 Uiso 1 1 calc R . .
C182 C 0.8187(5) -0.0293(4) 1.1343(3) 0.0283(14) Uani 1 1 d . . .
H82A H 0.7992 -0.0403 1.0735 0.034 Uiso 1 1 calc R . .
H82B H 0.7596 -0.0311 1.1586 0.034 Uiso 1 1 calc R . .
C183 C 0.8691(5) -0.1035(4) 1.1612(4) 0.0356(15) Uani 1 1 d . . .
H83A H 0.8883 -0.0945 1.2219 0.043 Uiso 1 1 calc R . .
H83B H 0.8247 -0.1609 1.1421 0.043 Uiso 1 1 calc R . .
C184 C 0.9572(5) -0.0965(4) 1.1201(5) 0.0449(18) Uani 1 1 d . . .
H84A H 0.9362 -0.1112 1.0595 0.054 Uiso 1 1 calc R . .
H84B H 0.9945 -0.1382 1.1373 0.054 Uiso 1 1 calc R . .
C185 C 1.0253(5) -0.0005(4) 1.1445(5) 0.0379(17) Uani 1 1 d . . .
H85A H 1.0513 0.0122 1.2044 0.045 Uiso 1 1 calc R . .
H85B H 1.0805 0.0032 1.1148 0.045 Uiso 1 1 calc R . .
C186 C 0.9743(4) 0.0590(4) 1.1246(4) 0.0312(14) Uani 1 1 d . . .
H86A H 0.9559 0.0498 1.0638 0.037 Uiso 1 1 calc R . .
H86B H 1.0175 0.1171 1.1426 0.037 Uiso 1 1 calc R . .
C190 C 0.7804(4) 0.4633(4) 1.1186(4) 0.0334(15) Uani 1 1 d D . .
C191 C 0.7023(5) 0.5078(4) 1.1220(4) 0.0378(16) Uani 1 1 d . . .
H91A H 0.7077 0.5420 1.1775 0.045 Uiso 1 1 calc R . .
H91B H 0.6383 0.4670 1.1066 0.045 Uiso 1 1 calc R . .
C192 C 0.7196(5) 0.5665(5) 1.0569(4) 0.0469(19) Uani 1 1 d D . .
H92A H 0.6635 0.5529 1.0111 0.056 Uiso 1 1 calc R . .
H92B H 0.7320 0.6281 1.0820 0.056 Uiso 1 1 calc R . .
C193 C 0.8095(5) 0.5450(4) 1.0266(4) 0.0431(18) Uani 1 1 d D . .
C194 C 0.7727(5) 0.4515(4) 0.9842(4) 0.0375(17) Uani 1 1 d D . .
C195 C 0.8706(4) 0.5293(4) 1.1067(3) 0.0344(16) Uani 1 1 d D . .
C196 C 0.9559(5) 0.4915(5) 1.0917(5) 0.0457(19) Uani 1 1 d D . .
H96A H 0.9366 0.4465 1.0424 0.069 Uiso 1 1 calc R . .
H96B H 0.9776 0.4666 1.1395 0.069 Uiso 1 1 calc R . .
H96C H 1.0087 0.5369 1.0836 0.069 Uiso 1 1 calc R . .
C197 C 0.9043(6) 0.6055(4) 1.1773(4) 0.051(2) Uani 1 1 d D . .
H97A H 0.8519 0.6353 1.1826 0.077 Uiso 1 1 calc R . .
H97B H 0.9603 0.6454 1.1662 0.077 Uiso 1 1 calc R . .
H97C H 0.9225 0.5850 1.2287 0.077 Uiso 1 1 calc R . .
C198 C 0.8601(6) 0.6080(5) 0.9766(5) 0.057(2) Uani 1 1 d D . .
H98A H 0.8746 0.6668 1.0080 0.085 Uiso 1 1 calc R . .
H98B H 0.8176 0.6046 0.9240 0.085 Uiso 1 1 calc R . .
H98C H 0.9204 0.5928 0.9661 0.085 Uiso 1 1 calc R . .
C300 C 1.4175(6) 0.1352(7) 1.0343(5) 0.093(4) Uani 1 1 d D . .
H30A H 1.4728 0.1178 1.0633 0.139 Uiso 1 1 calc R . .
H30B H 1.4407 0.1858 1.0100 0.139 Uiso 1 1 calc R . .
H30C H 1.3806 0.0878 0.9905 0.139 Uiso 1 1 calc R . .
C301 C 1.3527(4) 0.1574(4) 1.0951(4) 0.085(3) Uani 1 1 d GD . .
C302 C 1.3766(4) 0.1494(4) 1.1772(4) 0.079(3) Uani 1 1 d GD . .
H302 H 1.4320 0.1286 1.1949 0.095 Uiso 1 1 calc R . .
C303 C 1.3195(5) 0.1720(4) 1.2335(3) 0.105(4) Uani 1 1 d GD . .
H303 H 1.3359 0.1665 1.2896 0.126 Uiso 1 1 calc R . .
C304 C 1.2385(4) 0.2024(4) 1.2077(3) 0.064(3) Uani 1 1 d GD . .
H304 H 1.1995 0.2178 1.2462 0.077 Uiso 1 1 calc R . .
C305 C 1.2145(3) 0.2104(4) 1.1256(4) 0.095(4) Uani 1 1 d GD . .
H305 H 1.1591 0.2312 1.1080 0.114 Uiso 1 1 calc R . .
C306 C 1.2716(4) 0.1878(4) 1.0693(3) 0.055(2) Uani 1 1 d GD . .
H306 H 1.2552 0.1933 1.0132 0.066 Uiso 1 1 calc R . .
Re21 Re -0.696680(17) -0.146325(16) -1.239591(15) 0.02220(6) Uani 1 1 d . . .
Re22 Re -0.906434(17) -0.276771(15) -1.265241(14) 0.02082(6) Uani 1 1 d . . .
Ag21 Ag -0.73856(3) -0.32617(3) -1.32522(3) 0.02476(10) Uani 1 1 d . . .
Ag22 Ag -0.82449(3) -0.21430(3) -1.40105(3) 0.02455(10) Uani 1 1 d . . .
P21 P -0.64024(11) -0.40408(10) -1.40014(10) 0.0252(3) Uani 1 1 d . . .
P22 P -0.86917(11) -0.19870(10) -1.54298(9) 0.0222(3) Uani 1 1 d . . .
P23 P -0.82935(11) -0.15243(10) -1.15914(9) 0.0224(3) Uani 1 1 d . . .
O201 O -0.7798(3) -0.0102(3) -1.3287(3) 0.0394(11) Uani 1 1 d . . .
C201 C -0.7507(6) -0.0667(5) -1.2966(4) 0.0443(19) Uani 1 1 d . . .
O202 O -0.6190(3) -0.2697(3) -1.1332(3) 0.0362(11) Uani 1 1 d . . .
C202 C -0.6489(4) -0.2322(4) -1.1734(4) 0.0214(12) Uani 1 1 d . . .
O203 O -0.5515(3) -0.0010(3) -1.1176(3) 0.0394(11) Uani 1 1 d . . .
C203 C -0.6062(5) -0.0547(4) -1.1621(4) 0.0264(13) Uani 1 1 d . . .
O204 O -0.5426(3) -0.1469(3) -1.3482(3) 0.0396(12) Uani 1 1 d . . .
C204 C -0.5979(4) -0.1507(4) -1.3109(4) 0.0235(12) Uani 1 1 d . . .
O205 O -0.9672(3) -0.4295(3) -1.4145(3) 0.0312(10) Uani 1 1 d . . .
C205 C -0.9406(4) -0.3725(4) -1.3584(3) 0.0236(13) Uani 1 1 d . . .
O206 O -1.0211(3) -0.1627(3) -1.3497(2) 0.0281(10) Uani 1 1 d . . .
C206 C -0.9743(4) -0.2091(4) -1.3218(3) 0.0236(13) Uani 1 1 d . . .
O207 O -1.0956(3) -0.3425(3) -1.2048(3) 0.0370(11) Uani 1 1 d . . .
C207 C -1.0205(5) -0.3162(4) -1.2283(4) 0.0293(14) Uani 1 1 d . . .
O208 O -0.8471(3) -0.3495(3) -1.1758(3) 0.0299(10) Uani 1 1 d . . .
C208 C -0.8213(4) -0.4181(4) -1.1902(4) 0.0272(13) Uani 1 1 d . . .
O209 O -0.7958(4) -0.4457(3) -1.2577(3) 0.0399(12) Uani 1 1 d . . .
O210 O -0.8063(4) -0.4185(3) -1.0437(3) 0.0397(12) Uani 1 1 d . . .
O211 O -0.7681(4) -0.4449(3) -0.9151(3) 0.0528(15) Uani 1 1 d . . .
C211 C -0.5528(4) -0.4462(4) -1.3315(4) 0.0251(13) Uani 1 1 d D . .
C212 C -0.5448(4) -0.5253(4) -1.3445(4) 0.0322(15) Uani 1 1 d D . .
H212 H -0.5829 -0.5648 -1.3912 0.039 Uiso 1 1 calc R . .
C213 C -0.4766(5) -0.5527(4) -1.2864(4) 0.0362(16) Uani 1 1 d D . .
H213 H -0.4696 -0.6106 -1.2942 0.043 Uiso 1 1 calc R . .
C214 C -0.4227(5) -0.4940(5) -1.2204(4) 0.0402(17) Uani 1 1 d D . .
H214 H -0.3782 -0.5106 -1.1813 0.048 Uiso 1 1 calc R . .
C215 C -0.4335(5) -0.4103(5) -1.2110(4) 0.0413(17) Uani 1 1 d D . .
H215 H -0.3940 -0.3686 -1.1665 0.050 Uiso 1 1 calc R . .
C216 C -0.4974(5) -0.3873(4) -1.2625(4) 0.0306(14) Uani 1 1 d D . .
H216 H -0.5063 -0.3302 -1.2531 0.037 Uiso 1 1 calc R . .
C221 C -0.7039(4) -0.5006(4) -1.4753(4) 0.0262(13) Uani 1 1 d D . .
C222 C -0.6767(4) -0.5171(4) -1.5530(4) 0.0280(13) Uani 1 1 d D . .
H222 H -0.6249 -0.4786 -1.5675 0.034 Uiso 1 1 calc R . .
C223 C -0.7271(4) -0.5907(4) -1.6076(4) 0.0315(14) Uani 1 1 d D . .
H223 H -0.7112 -0.6034 -1.6607 0.038 Uiso 1 1 calc R . .
C224 C -0.8041(4) -0.6480(4) -1.5826(4) 0.0295(14) Uani 1 1 d D . .
H224 H -0.8372 -0.7002 -1.6186 0.035 Uiso 1 1 calc R . .
C225 C -0.8292(5) -0.6289(5) -1.5107(4) 0.0392(17) Uani 1 1 d D . .
H225 H -0.8810 -0.6675 -1.4962 0.047 Uiso 1 1 calc R . .
C226 C -0.7818(4) -0.5532(4) -1.4542(4) 0.0255(13) Uani 1 1 d D . .
H226 H -0.8027 -0.5388 -1.4035 0.031 Uiso 1 1 calc R . .
C231 C -0.5673(4) -0.3384(4) -1.4582(4) 0.0245(13) Uani 1 1 d D . .
C232 C -0.6147(5) -0.3003(4) -1.5144(4) 0.0358(16) Uani 1 1 d D . .
H232 H -0.6830 -0.3094 -1.5220 0.043 Uiso 1 1 calc R . .
C233 C -0.5615(5) -0.2461(4) -1.5623(4) 0.0379(16) Uani 1 1 d D . .
H233 H -0.5945 -0.2198 -1.6016 0.046 Uiso 1 1 calc R . .
C234 C -0.4599(5) -0.2324(4) -1.5503(4) 0.0386(16) Uani 1 1 d D . .
H234 H -0.4241 -0.1959 -1.5807 0.046 Uiso 1 1 calc R . .
C235 C -0.4132(4) -0.2719(4) -1.4946(4) 0.0303(14) Uani 1 1 d D . .
H235 H -0.3451 -0.2645 -1.4875 0.036 Uiso 1 1 calc R . .
C236 C -0.4651(5) -0.3221(4) -1.4493(4) 0.0365(16) Uani 1 1 d D . .
H236 H -0.4310 -0.3474 -1.4098 0.044 Uiso 1 1 calc R . .
C241 C -0.8532(4) -0.2858(4) -1.6168(3) 0.0265(13) Uani 1 1 d D . .
C242 C -0.8790(4) -0.3736(4) -1.6000(4) 0.0280(14) Uani 1 1 d D . .
H242 H -0.9049 -0.3828 -1.5518 0.034 Uiso 1 1 calc R . .
C243 C -0.8667(4) -0.4428(4) -1.6520(4) 0.0287(14) Uani 1 1 d D . .
H243 H -0.8843 -0.4997 -1.6411 0.034 Uiso 1 1 calc R . .
C244 C -0.8256(5) -0.4255(4) -1.7250(4) 0.0364(16) Uani 1 1 d D . .
H244 H -0.8128 -0.4714 -1.7611 0.044 Uiso 1 1 calc R . .
C245 C -0.8060(5) -0.3464(4) -1.7411(4) 0.0325(15) Uani 1 1 d D . .
H245 H -0.7845 -0.3377 -1.7912 0.039 Uiso 1 1 calc R . .
C246 C -0.8155(5) -0.2764(4) -1.6882(4) 0.0386(17) Uani 1 1 d D . .
H246 H -0.7959 -0.2204 -1.7007 0.046 Uiso 1 1 calc R . .
C251 C -0.9913(4) -0.1892(4) -1.5725(3) 0.0219(12) Uani 1 1 d D . .
C252 C -1.0227(5) -0.1232(4) -1.5256(4) 0.0330(15) Uani 1 1 d D . .
H252 H -0.9795 -0.0837 -1.4815 0.040 Uiso 1 1 calc R . .
C253 C -1.1163(5) -0.1179(4) -1.5452(5) 0.0429(18) Uani 1 1 d D . .
H253 H -1.1368 -0.0734 -1.5137 0.052 Uiso 1 1 calc R . .
C254 C -1.1829(5) -0.1726(5) -1.6075(4) 0.0417(18) Uani 1 1 d D . .
H254 H -1.2470 -0.1650 -1.6199 0.050 Uiso 1 1 calc R . .
C255 C -1.1544(6) -0.2384(6) -1.6515(5) 0.067(3) Uani 1 1 d D . .
H255 H -1.1998 -0.2803 -1.6923 0.081 Uiso 1 1 calc R . .
C256 C -1.0520(4) -0.2432(5) -1.6345(4) 0.0432(19) Uani 1 1 d D . .
H256 H -1.0297 -0.2851 -1.6679 0.052 Uiso 1 1 calc R . .
C261 C -0.7947(5) -0.1041(4) -1.5674(4) 0.0273(14) Uani 1 1 d D . .
C262 C -0.7000(4) -0.0681(4) -1.5201(4) 0.0290(14) Uani 1 1 d D . .
H262 H -0.6767 -0.0947 -1.4763 0.035 Uiso 1 1 calc R . .
C263 C -0.6453(4) 0.0000(4) -1.5360(4) 0.0340(15) Uani 1 1 d D . .
H263 H -0.5833 0.0234 -1.5027 0.041 Uiso 1 1 calc R . .
C264 C -0.6769(5) 0.0404(4) -1.6026(5) 0.0412(18) Uani 1 1 d D . .
H264 H -0.6343 0.0886 -1.6146 0.049 Uiso 1 1 calc R . .
C265 C -0.7647(5) 0.0118(4) -1.6483(4) 0.0397(17) Uani 1 1 d D . .
H265 H -0.7852 0.0412 -1.6908 0.048 Uiso 1 1 calc R . .
C266 C -0.8285(5) -0.0629(4) -1.6340(4) 0.0338(15) Uani 1 1 d D . .
H266 H -0.8909 -0.0846 -1.6670 0.041 Uiso 1 1 calc R . .
C271 C -0.7980(4) -0.1700(4) -1.0521(4) 0.0283(14) Uani 1 1 d . . .
H271 H -0.7568 -0.2130 -1.0553 0.034 Uiso 1 1 calc R . .
C272 C -0.7347(5) -0.0901(5) -0.9937(4) 0.0358(16) Uani 1 1 d . . .
H72C H -0.7714 -0.0447 -0.9871 0.043 Uiso 1 1 calc R . .
H72D H -0.6772 -0.0675 -1.0173 0.043 Uiso 1 1 calc R . .
C273 C -0.7018(5) -0.1140(5) -0.9073(4) 0.046(2) Uani 1 1 d . . .
H73C H -0.6563 -0.1522 -0.9130 0.056 Uiso 1 1 calc R . .
H73D H -0.6670 -0.0608 -0.8682 0.056 Uiso 1 1 calc R . .
C274 C -0.7854(5) -0.1585(4) -0.8726(4) 0.0342(15) Uani 1 1 d . . .
H74C H -0.7602 -0.1781 -0.8218 0.041 Uiso 1 1 calc R . .
H74D H -0.8243 -0.1166 -0.8572 0.041 Uiso 1 1 calc R . .
C275 C -0.8493(4) -0.2340(4) -0.9316(3) 0.0243(13) Uani 1 1 d . . .
H75C H -0.9059 -0.2570 -0.9071 0.029 Uiso 1 1 calc R . .
H75D H -0.8135 -0.2799 -0.9401 0.029 Uiso 1 1 calc R . .
C276 C -0.8843(5) -0.2115(4) -1.0143(3) 0.0270(13) Uani 1 1 d . . .
H76C H -0.9269 -0.1709 -1.0072 0.032 Uiso 1 1 calc R . .
H76D H -0.9224 -0.2643 -1.0523 0.032 Uiso 1 1 calc R . .
C281 C -0.8819(4) -0.0571(4) -1.1610(4) 0.0292(14) Uani 1 1 d . . .
H281 H -0.9058 -0.0577 -1.2206 0.035 Uiso 1 1 calc R . .
C282 C -0.8145(4) 0.0361(4) -1.1272(4) 0.0270(13) Uani 1 1 d . . .
H82C H -0.7956 0.0446 -1.0665 0.032 Uiso 1 1 calc R . .
H82D H -0.7550 0.0424 -1.1515 0.032 Uiso 1 1 calc R . .
C283 C -0.8682(4) 0.1011(4) -1.1501(4) 0.0273(13) Uani 1 1 d . . .
H83C H -0.8813 0.0947 -1.2110 0.033 Uiso 1 1 calc R . .
H83D H -0.8264 0.1592 -1.1280 0.033 Uiso 1 1 calc R . .
C284 C -0.9635(5) 0.0956(4) -1.1193(4) 0.0373(16) Uani 1 1 d . . .
H84C H -0.9503 0.1097 -1.0583 0.045 Uiso 1 1 calc R . .
H84D H -0.9956 0.1391 -1.1402 0.045 Uiso 1 1 calc R . .
C285 C -1.0284(5) 0.0109(4) -1.1453(5) 0.0427(18) Uani 1 1 d . . .
H85C H -1.0502 0.0004 -1.2058 0.051 Uiso 1 1 calc R . .
H85D H -1.0861 0.0090 -1.1189 0.051 Uiso 1 1 calc R . .
C286 C -0.9739(5) -0.0658(4) -1.1196(4) 0.0347(16) Uani 1 1 d . . .
H86C H -0.9552 -0.0581 -1.0589 0.042 Uiso 1 1 calc R . .
H86D H -1.0176 -0.1233 -1.1399 0.042 Uiso 1 1 calc R . .
C290 C -0.8210(5) -0.4727(4) -1.1250(3) 0.0302(15) Uani 1 1 d D . .
C291 C -0.9215(5) -0.5390(5) -1.1349(5) 0.0455(18) Uani 1 1 d . . .
H91C H -0.9726 -0.5098 -1.1202 0.055 Uiso 1 1 calc R . .
H91D H -0.9423 -0.5725 -1.1916 0.055 Uiso 1 1 calc R . .
C292 C -0.8947(5) -0.5972(5) -1.0704(5) 0.051(2) Uani 1 1 d D . .
H92C H -0.9336 -0.5947 -1.0261 0.061 Uiso 1 1 calc R . .
H92D H -0.9049 -0.6580 -1.0976 0.061 Uiso 1 1 calc R . .
C293 C -0.7869(5) -0.5576(3) -1.0361(3) 0.0331(15) Uani 1 1 d D . .
C294 C -0.7856(5) -0.4715(4) -0.9864(4) 0.0377(16) Uani 1 1 d D . .
C295 C -0.7466(4) -0.5287(4) -1.1121(3) 0.0323(15) Uani 1 1 d D . .
C296 C -0.6439(4) -0.4736(5) -1.0932(4) 0.0431(18) Uani 1 1 d D . .
H96D H -0.5982 -0.5101 -1.0829 0.065 Uiso 1 1 calc R . .
H96E H -0.6365 -0.4296 -1.0442 0.065 Uiso 1 1 calc R . .
H96F H -0.6308 -0.4457 -1.1403 0.065 Uiso 1 1 calc R . .
C297 C -0.7551(6) -0.6011(4) -1.1842(4) 0.053(2) Uani 1 1 d D . .
H97D H -0.7168 -0.6413 -1.1668 0.080 Uiso 1 1 calc R . .
H97E H -0.7311 -0.5769 -1.2301 0.080 Uiso 1 1 calc R . .
H97F H -0.8230 -0.6317 -1.2020 0.080 Uiso 1 1 calc R . .
C298 C -0.7367(6) -0.6129(5) -0.9861(4) 0.050(2) Uani 1 1 d D . .
H98D H -0.7503 -0.6716 -1.0175 0.074 Uiso 1 1 calc R . .
H98E H -0.7607 -0.6143 -0.9340 0.074 Uiso 1 1 calc R . .
H98F H -0.6669 -0.5886 -0.9746 0.074 Uiso 1 1 calc R . .
C500 C -1.4161(7) -0.1559(7) -1.0150(6) 0.091(4) Uani 1 1 d D . .
H50A H -1.4737 -0.1380 -1.0386 0.137 Uiso 1 1 calc R . .
H50B H -1.3787 -0.1115 -0.9687 0.137 Uiso 1 1 calc R . .
H50C H -1.4356 -0.2103 -0.9953 0.137 Uiso 1 1 calc R . .
C501 C -1.3543(3) -0.1683(3) -1.0808(3) 0.052(2) Uani 1 1 d GD . .
C502 C -1.3820(3) -0.1546(3) -1.1605(4) 0.065(3) Uani 1 1 d GD . .
H502 H -1.4398 -0.1358 -1.1745 0.078 Uiso 1 1 calc R . .
C503 C -1.3251(4) -0.1683(4) -1.2196(3) 0.070(3) Uani 1 1 d GD . .
H503 H -1.3441 -0.1589 -1.2741 0.084 Uiso 1 1 calc R . .
C504 C -1.2406(4) -0.1958(3) -1.1991(3) 0.079(3) Uani 1 1 d GD . .
H504 H -1.2018 -0.2052 -1.2395 0.095 Uiso 1 1 calc R . .
C505 C -1.2129(3) -0.2096(3) -1.1194(4) 0.0448(19) Uani 1 1 d GD . .
H505 H -1.1552 -0.2283 -1.1054 0.054 Uiso 1 1 calc R . .
C506 C -1.2698(4) -0.1958(3) -1.0602(3) 0.078(3) Uani 1 1 d GD . .
H506 H -1.2509 -0.2052 -1.0058 0.093 Uiso 1 1 calc R . .
C600 C -1.5073(5) -0.0978(4) -1.7114(4) 0.0394(16) Uiso 1 1 d D . .
H60A H -1.5766 -0.1069 -1.7101 0.059 Uiso 1 1 calc R . .
H60B H -1.4865 -0.0466 -1.7356 0.059 Uiso 1 1 calc R . .
H60C H -1.4712 -0.0896 -1.6551 0.059 Uiso 1 1 calc R . .
C601 C -1.4899(5) -0.1691(4) -1.7586(4) 0.074(3) Uiso 1 1 d GD . .
C602 C -1.3988(4) -0.1769(4) -1.7724(4) 0.064(2) Uiso 1 1 d GD . .
H602 H -1.3432 -0.1339 -1.7451 0.077 Uiso 1 1 calc R . .
C603 C -1.3889(5) -0.2476(5) -1.8260(5) 0.117(4) Uiso 1 1 d GD . .
H603 H -1.3266 -0.2530 -1.8354 0.141 Uiso 1 1 calc R . .
C604 C -1.4702(7) -0.3105(4) -1.8659(4) 0.100(4) Uiso 1 1 d GD . .
H604 H -1.4634 -0.3588 -1.9026 0.120 Uiso 1 1 calc R . .
C605 C -1.5614(5) -0.3027(5) -1.8522(5) 0.224(9) Uiso 1 1 d GD . .
H605 H -1.6169 -0.3456 -1.8795 0.268 Uiso 1 1 calc R . .
C606 C -1.5712(4) -0.2319(5) -1.7985(5) 0.100(4) Uiso 1 1 d GD . .
H606 H -1.6335 -0.2266 -1.7891 0.120 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C103 Re11 C104 91.1(3) . . ?
C103 Re11 C102 89.9(3) . . ?
C104 Re11 C102 94.7(2) . . ?
C103 Re11 C101 88.3(2) . . ?
C104 Re11 C101 89.7(2) . . ?
C102 Re11 C101 175.3(2) . . ?
C103 Re11 P13 94.44(19) . . ?
C104 Re11 P13 174.31(19) . . ?
C102 Re11 P13 86.76(16) . . ?
C101 Re11 P13 89.02(16) . . ?
C103 Re11 Ag11 149.51(19) . . ?
C104 Re11 Ag11 73.57(18) . . ?
C102 Re11 Ag11 66.05(17) . . ?
C101 Re11 Ag11 117.04(17) . . ?
P13 Re11 Ag11 102.14(4) . . ?
C103 Re11 Ag12 149.53(19) . . ?
C104 Re11 Ag12 80.29(18) . . ?
C102 Re11 Ag12 119.77(18) . . ?
C101 Re11 Ag12 62.65(17) . . ?
P13 Re11 Ag12 94.20(4) . . ?
Ag11 Re11 Ag12 54.911(16) . . ?
C103 Re11 Re12 142.25(18) . . ?
C104 Re11 Re12 126.51(18) . . ?
C102 Re11 Re12 84.03(17) . . ?
C101 Re11 Re12 94.72(16) . . ?
P13 Re11 Re12 48.13(4) . . ?
Ag11 Re11 Re12 57.137(13) . . ?
Ag12 Re11 Re12 55.857(14) . . ?
C107 Re12 C106 84.6(2) . . ?
C107 Re12 C105 91.4(2) . . ?
C106 Re12 C105 95.2(2) . . ?
C107 Re12 O108 84.9(2) . . ?
C106 Re12 O108 164.70(19) . . ?
C105 Re12 O108 96.2(2) . . ?
C107 Re12 P13 101.46(17) . . ?
C106 Re12 P13 87.85(18) . . ?
C105 Re12 P13 166.98(19) . . ?
O108 Re12 P13 83.33(11) . . ?
C107 Re12 Ag12 144.38(17) . . ?
C106 Re12 Ag12 65.30(16) . . ?
C105 Re12 Ag12 73.73(18) . . ?
O108 Re12 Ag12 128.02(10) . . ?
P13 Re12 Ag12 96.26(4) . . ?
C107 Re12 Ag11 145.82(17) . . ?
C106 Re12 Ag11 120.20(16) . . ?
C105 Re12 Ag11 65.07(18) . . ?
O108 Re12 Ag11 74.10(10) . . ?
P13 Re12 Ag11 102.49(4) . . ?
Ag12 Re12 Ag11 55.139(15) . . ?
C107 Re12 Re11 150.40(17) . . ?
C106 Re12 Re11 96.42(17) . . ?
C105 Re12 Re11 117.80(18) . . ?
O108 Re12 Re11 87.26(10) . . ?
P13 Re12 Re11 49.20(4) . . ?
Ag12 Re12 Re11 57.240(14) . . ?
Ag11 Re12 Re11 56.441(12) . . ?
P11 Ag11 Ag12 119.97(4) . . ?
P11 Ag11 Re11 131.65(4) . . ?
Ag12 Ag11 Re11 62.847(16) . . ?
P11 Ag11 Re12 161.61(4) . . ?
Ag12 Ag11 Re12 61.420(15) . . ?
Re11 Ag11 Re12 66.422(14) . . ?
P12 Ag12 Ag11 133.18(4) . . ?
P12 Ag12 Re12 144.24(4) . . ?
Ag11 Ag12 Re12 63.441(15) . . ?
P12 Ag12 Re11 146.26(4) . . ?
Ag11 Ag12 Re11 62.242(16) . . ?
Re12 Ag12 Re11 66.904(13) . . ?
C111 P11 C121 106.8(3) . . ?
C111 P11 C131 104.5(3) . . ?
C121 P11 C131 104.3(3) . . ?
C111 P11 Ag11 108.72(19) . . ?
C121 P11 Ag11 118.25(19) . . ?
C131 P11 Ag11 113.27(18) . . ?
C141 P12 C161 105.6(3) . . ?
C141 P12 C151 107.6(3) . . ?
C161 P12 C151 104.8(2) . . ?
C141 P12 Ag12 111.84(19) . . ?
C161 P12 Ag12 112.25(18) . . ?
C151 P12 Ag12 114.13(18) . . ?
C171 P13 C181 110.0(3) . . ?
C171 P13 Re12 116.61(19) . . ?
C181 P13 Re12 115.22(19) . . ?
C171 P13 Re11 116.74(19) . . ?
C181 P13 Re11 113.41(18) . . ?
Re12 P13 Re11 82.67(5) . . ?
O101 C101 Re11 177.8(6) . . ?
O102 C102 Re11 176.4(5) . . ?
O103 C103 Re11 177.8(6) . . ?
O104 C104 Re11 174.2(5) . . ?
O105 C105 Re12 175.6(6) . . ?
O106 C106 Re12 172.5(5) . . ?
O107 C107 Re12 178.8(6) . . ?
C108 O108 Re12 126.4(3) . . ?
O109 C108 O108 127.9(5) . . ?
O109 C108 C190 114.3(5) . . ?
O108 C108 C190 117.7(5) . . ?
C194 O110 C190 105.5(5) . . ?
C116 C111 C112 117.5(5) . . ?
C116 C111 P11 120.1(5) . . ?
C112 C111 P11 122.4(4) . . ?
C113 C112 C111 118.5(6) . . ?
C112 C113 C114 123.9(7) . . ?
C115 C114 C113 120.5(7) . . ?
C114 C115 C116 118.5(6) . . ?
C111 C116 C115 121.0(6) . . ?
C122 C121 C126 114.4(6) . . ?
C122 C121 P11 124.8(5) . . ?
C126 C121 P11 120.6(5) . . ?
C121 C122 C123 124.3(6) . . ?
C124 C123 C122 120.7(6) . . ?
C123 C124 C125 118.1(6) . . ?
C126 C125 C124 119.8(6) . . ?
C125 C126 C121 122.6(6) . . ?
C132 C131 C136 119.3(6) . . ?
C132 C131 P11 118.4(4) . . ?
C136 C131 P11 122.2(5) . . ?
C133 C132 C131 121.9(6) . . ?
C132 C133 C134 118.9(6) . . ?
C135 C134 C133 121.6(6) . . ?
C134 C135 C136 120.6(6) . . ?
C131 C136 C135 117.8(6) . . ?
C142 C141 C146 121.0(5) . . ?
C142 C141 P12 120.1(4) . . ?
C146 C141 P12 118.9(4) . . ?
C141 C142 C143 119.4(5) . . ?
C144 C143 C142 123.7(6) . . ?
C143 C144 C145 117.3(6) . . ?
C146 C145 C144 120.9(6) . . ?
C145 C146 C141 117.7(6) . . ?
C152 C151 C156 120.6(5) . . ?
C152 C151 P12 117.4(5) . . ?
C156 C151 P12 121.9(4) . . ?
C151 C152 C153 121.9(6) . . ?
C154 C153 C152 116.6(6) . . ?
C153 C154 C155 121.1(6) . . ?
C156 C155 C154 122.2(7) . . ?
C155 C156 C151 117.3(6) . . ?
C162 C161 C166 119.7(6) . . ?
C162 C161 P12 118.4(5) . . ?
C166 C161 P12 121.9(4) . . ?
C161 C162 C163 120.9(6) . . ?
C164 C163 C162 118.6(7) . . ?
C163 C164 C165 120.1(6) . . ?
C166 C165 C164 119.3(6) . . ?
C161 C166 C165 121.3(6) . . ?
C176 C171 C172 109.3(5) . . ?
C176 C171 P13 115.6(4) . . ?
C172 C171 P13 115.0(4) . . ?
C173 C172 C171 112.8(5) . . ?
C172 C173 C174 111.5(5) . . ?
C175 C174 C173 108.6(5) . . ?
C174 C175 C176 111.5(5) . . ?
C171 C176 C175 109.2(5) . . ?
C182 C181 C186 108.7(5) . . ?
C182 C181 P13 116.0(4) . . ?
C186 C181 P13 119.1(4) . . ?
C181 C182 C183 112.0(5) . . ?
C184 C183 C182 105.2(5) . . ?
C183 C184 C185 111.1(6) . . ?
C186 C185 C184 110.7(6) . . ?
C185 C186 C181 115.7(6) . . ?
C191 C190 O110 106.7(5) . . ?
C191 C190 C195 107.5(5) . . ?
O110 C190 C195 101.7(4) . . ?
C191 C190 C108 116.7(5) . . ?
O110 C190 C108 108.9(5) . . ?
C195 C190 C108 114.0(5) . . ?
C190 C191 C192 101.3(5) . . ?
C193 C192 C191 103.1(5) . . ?
C194 C193 C198 117.0(6) . . ?
C194 C193 C192 102.5(5) . . ?
C198 C193 C192 115.8(6) . . ?
C194 C193 C195 98.0(5) . . ?
C198 C193 C195 117.9(6) . . ?
C192 C193 C195 103.0(5) . . ?
O111 C194 O110 124.0(6) . . ?
O111 C194 C193 126.6(6) . . ?
O110 C194 C193 109.3(5) . . ?
C196 C195 C197 108.8(6) . . ?
C196 C195 C190 114.8(5) . . ?
C197 C195 C190 112.9(5) . . ?
C196 C195 C193 114.2(5) . . ?
C197 C195 C193 116.3(5) . . ?
C190 C195 C193 88.9(4) . . ?
C302 C301 C306 120.0 . . ?
C302 C301 C300 119.7(6) . . ?
C306 C301 C300 120.3(6) . . ?
C301 C302 C303 120.0 . . ?
C304 C303 C302 120.0 . . ?
C303 C304 C305 120.0 . . ?
C304 C305 C306 120.0 . . ?
C305 C306 C301 120.0 . . ?
C201 Re21 C203 92.4(3) . . ?
C201 Re21 C204 92.7(3) . . ?
C203 Re21 C204 89.7(2) . . ?
C201 Re21 C202 175.0(3) . . ?
C203 Re21 C202 88.3(2) . . ?
C204 Re21 C202 92.2(2) . . ?
C201 Re21 P23 87.6(2) . . ?
C203 Re21 P23 95.41(17) . . ?
C204 Re21 P23 174.83(18) . . ?
C202 Re21 P23 87.48(16) . . ?
C201 Re21 Ag21 117.1(2) . . ?
C203 Re21 Ag21 146.56(18) . . ?
C204 Re21 Ag21 74.44(17) . . ?
C202 Re21 Ag21 63.66(15) . . ?
P23 Re21 Ag21 100.82(4) . . ?
C201 Re21 Ag22 62.0(2) . . ?
C203 Re21 Ag22 151.73(18) . . ?
C204 Re21 Ag22 80.38(18) . . ?
C202 Re21 Ag22 118.27(15) . . ?
P23 Re21 Ag22 95.24(4) . . ?
Ag21 Re21 Ag22 55.265(16) . . ?
C201 Re21 Re22 91.5(2) . . ?
C203 Re21 Re22 142.99(17) . . ?
C204 Re21 Re22 126.81(17) . . ?
C202 Re21 Re22 84.99(16) . . ?
P23 Re21 Re22 48.02(4) . . ?
Ag21 Re21 Re22 56.855(14) . . ?
Ag22 Re21 Re22 55.793(14) . . ?
C207 Re22 C206 85.8(2) . . ?
C207 Re22 C205 91.3(2) . . ?
C206 Re22 C205 93.0(3) . . ?
C207 Re22 O208 83.1(2) . . ?
C206 Re22 O208 166.3(2) . . ?
C205 Re22 O208 95.4(2) . . ?
C207 Re22 P23 101.30(19) . . ?
C206 Re22 P23 90.14(19) . . ?
C205 Re22 P23 167.25(16) . . ?
O208 Re22 P23 84.05(12) . . ?
C207 Re22 Ag22 144.70(18) . . ?
C206 Re22 Ag22 64.46(16) . . ?
C205 Re22 Ag22 72.80(15) . . ?
O208 Re22 Ag22 128.61(11) . . ?
P23 Re22 Ag22 97.59(4) . . ?
C207 Re22 Ag21 145.04(19) . . ?
C206 Re22 Ag21 119.84(16) . . ?
C205 Re22 Ag21 65.92(17) . . ?
O208 Re22 Ag21 73.66(11) . . ?
P23 Re22 Ag21 101.85(4) . . ?
Ag22 Re22 Ag21 55.628(15) . . ?
C207 Re22 Re21 150.57(19) . . ?
C206 Re22 Re21 95.87(17) . . ?
C205 Re22 Re21 117.90(16) . . ?
O208 Re22 Re21 89.80(11) . . ?
P23 Re22 Re21 49.42(4) . . ?
Ag22 Re22 Re21 57.131(14) . . ?
Ag21 Re22 Re21 56.581(12) . . ?
P21 Ag21 Ag22 118.23(4) . . ?
P21 Ag21 Re21 130.68(4) . . ?
Ag22 Ag21 Re21 62.501(16) . . ?
P21 Ag21 Re22 161.90(4) . . ?
Ag22 Ag21 Re22 61.308(15) . . ?
Re21 Ag21 Re22 66.564(14) . . ?
P22 Ag22 Ag21 134.50(4) . . ?
P22 Ag22 Re22 141.74(4) . . ?
Ag21 Ag22 Re22 63.064(15) . . ?
P22 Ag22 Re21 148.00(4) . . ?
Ag21 Ag22 Re21 62.234(16) . . ?
Re22 Ag22 Re21 67.076(13) . . ?
C231 P21 C221 104.5(3) . . ?
C231 P21 C211 105.3(3) . . ?
C221 P21 C211 102.4(3) . . ?
C231 P21 Ag21 113.0(2) . . ?
C221 P21 Ag21 117.1(2) . . ?
C211 P21 Ag21 113.31(19) . . ?
C251 P22 C241 106.0(3) . . ?
C251 P22 C261 105.0(3) . . ?
C241 P22 C261 103.7(3) . . ?
C251 P22 Ag22 115.32(18) . . ?
C241 P22 Ag22 113.5(2) . . ?
C261 P22 Ag22 112.2(2) . . ?
C271 P23 C281 110.7(3) . . ?
C271 P23 Re22 118.2(2) . . ?
C281 P23 Re22 116.1(2) . . ?
C271 P23 Re21 115.01(19) . . ?
C281 P23 Re21 111.5(2) . . ?
Re22 P23 Re21 82.56(5) . . ?
O201 C201 Re21 174.7(6) . . ?
O202 C202 Re21 172.5(5) . . ?
O203 C203 Re21 178.4(5) . . ?
O204 C204 Re21 174.9(5) . . ?
O205 C205 Re22 175.6(5) . . ?
O206 C206 Re22 172.4(5) . . ?
O207 C207 Re22 179.4(6) . . ?
C208 O208 Re22 128.0(4) . . ?
O208 C208 O209 124.4(6) . . ?
O208 C208 C290 117.9(5) . . ?
O209 C208 C290 117.7(5) . . ?
C294 O210 C290 105.5(4) . . ?
C212 C211 C216 121.1(6) . . ?
C212 C211 P21 122.8(5) . . ?
C216 C211 P21 116.1(4) . . ?
C211 C212 C213 118.9(6) . . ?
C214 C213 C212 118.9(6) . . ?
C213 C214 C215 119.3(6) . . ?
C216 C215 C214 121.0(7) . . ?
C215 C216 C211 120.8(6) . . ?
C226 C221 C222 122.0(6) . . ?
C226 C221 P21 117.3(5) . . ?
C222 C221 P21 120.6(5) . . ?
C223 C222 C221 118.4(6) . . ?
C222 C223 C224 118.9(6) . . ?
C225 C224 C223 120.8(6) . . ?
C224 C225 C226 122.1(6) . . ?
C221 C226 C225 117.6(6) . . ?
C232 C231 C236 117.3(6) . . ?
C232 C231 P21 117.1(5) . . ?
C236 C231 P21 125.6(5) . . ?
C231 C232 C233 120.4(6) . . ?
C234 C233 C232 119.4(6) . . ?
C235 C234 C233 119.7(6) . . ?
C236 C235 C234 119.8(6) . . ?
C235 C236 C231 123.4(6) . . ?
C246 C241 C242 116.4(5) . . ?
C246 C241 P22 125.2(5) . . ?
C242 C241 P22 118.3(4) . . ?
C243 C242 C241 121.8(6) . . ?
C242 C243 C244 117.3(6) . . ?
C245 C244 C243 120.3(6) . . ?
C244 C245 C246 122.7(6) . . ?
C245 C246 C241 121.3(6) . . ?
C256 C251 C252 120.2(6) . . ?
C256 C251 P22 121.8(5) . . ?
C252 C251 P22 117.9(5) . . ?
C253 C252 C251 118.3(6) . . ?
C252 C253 C254 124.3(7) . . ?
C255 C254 C253 118.0(7) . . ?
C254 C255 C256 118.9(8) . . ?
C251 C256 C255 120.0(7) . . ?
C262 C261 C266 118.4(5) . . ?
C262 C261 P22 119.9(4) . . ?
C266 C261 P22 121.6(5) . . ?
C263 C262 C261 121.2(6) . . ?
C262 C263 C264 121.0(6) . . ?
C265 C264 C263 121.3(6) . . ?
C264 C265 C266 120.5(6) . . ?
C265 C266 C261 117.6(6) . . ?
C272 C271 C276 111.3(5) . . ?
C272 C271 P23 113.4(4) . . ?
C276 C271 P23 115.1(4) . . ?
C271 C272 C273 109.7(6) . . ?
C274 C273 C272 112.4(6) . . ?
C275 C274 C273 113.1(5) . . ?
C274 C275 C276 112.7(5) . . ?
C275 C276 C271 110.7(5) . . ?
C286 C281 C282 108.6(5) . . ?
C286 C281 P23 111.8(4) . . ?
C282 C281 P23 119.4(4) . . ?
C283 C282 C281 108.7(5) . . ?
C282 C283 C284 115.0(5) . . ?
C285 C284 C283 112.7(6) . . ?
C284 C285 C286 111.0(6) . . ?
C281 C286 C285 106.7(5) . . ?
O210 C290 C208 109.8(5) . . ?
O210 C290 C295 102.6(4) . . ?
C208 C290 C295 122.0(5) . . ?
O210 C290 C291 106.1(5) . . ?
C208 C290 C291 111.6(5) . . ?
C295 C290 C291 103.4(5) . . ?
C292 C291 C290 100.4(5) . . ?
C293 C292 C291 103.4(5) . . ?
C294 C293 C298 112.8(5) . . ?
C294 C293 C292 104.3(5) . . ?
C298 C293 C292 114.3(6) . . ?
C294 C293 C295 100.5(4) . . ?
C298 C293 C295 119.5(5) . . ?
C292 C293 C295 103.6(5) . . ?
O211 C294 O210 121.3(6) . . ?
O211 C294 C293 132.3(6) . . ?
O210 C294 C293 106.3(5) . . ?
C296 C295 C297 109.0(6) . . ?
C296 C295 C290 111.0(5) . . ?
C297 C295 C290 114.4(5) . . ?
C296 C295 C293 115.1(5) . . ?
C297 C295 C293 115.0(5) . . ?
C290 C295 C293 91.5(4) . . ?
C502 C501 C506 120.0 . . ?
C502 C501 C500 121.4(6) . . ?
C506 C501 C500 118.6(6) . . ?
C503 C502 C501 120.0 . . ?
C502 C503 C504 120.0 . . ?
C505 C504 C503 120.0 . . ?
C504 C505 C506 120.0 . . ?
C505 C506 C501 120.0 . . ?
C600 C601 C602 123.9(6) . . ?
C600 C601 C606 115.9(6) . . ?
C602 C601 C606 120.0 . . ?
C603 C602 C601 120.0 . . ?
C602 C603 C604 120.0 . . ?
C603 C604 C605 120.0 . . ?
C606 C605 C604 120.0 . . ?
C605 C606 C601 120.0 . . ?
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
Re11 C103 1.897(7) . ?
Re11 C104 1.940(7) . ?
Re11 C102 2.000(7) . ?
Re11 C101 2.009(6) . ?
Re11 P13 2.4664(15) . ?
Re11 Ag11 2.9381(6) . ?
Re11 Ag12 2.9543(6) . ?
Re11 Re12 3.2315(5) . ?
Re12 C107 1.940(6) . ?
Re12 C106 1.943(7) . ?
Re12 C105 1.998(8) . ?
Re12 O108 2.178(4) . ?
Re12 P13 2.4260(16) . ?
Re12 Ag12 2.9075(5) . ?
Re12 Ag11 2.9616(5) . ?
Ag11 P11 2.4359(16) . ?
Ag11 Ag12 2.7168(7) . ?
Ag11 O109 2.461/4) . ?
Ag12 P12 2.4166(16) . ?
P11 C111 1.780(6) . ?
P11 C121 1.798(6) . ?
P11 C131 1.818(6) . ?
P12 C141 1.840(6) . ?
P12 C161 1.843(6) . ?
P12 C151 1.858(5) . ?
P13 C171 1.854(5) . ?
P13 C181 1.866(7) . ?
O101 C101 1.118(7) . ?
O102 C102 1.166(7) . ?
O103 C103 1.184(7) . ?
O104 C104 1.209(7) . ?
O105 C105 1.131(8) . ?
O106 C106 1.126(7) . ?
O107 C107 1.121(6) . ?
O108 C108 1.282(7) . ?
C108 O109 1.229(7) . ?
C108 C190 1.577(8) . ?
O110 C194 1.289(7) . ?
O110 C190 1.472(7) . ?
O111 C194 1.233(7) . ?
C111 C116 1.381(8) . ?
C111 C112 1.484(8) . ?
C112 C113 1.352(9) . ?
C113 C114 1.366(9) . ?
C114 C115 1.375(9) . ?
C115 C116 1.459(9) . ?
C121 C122 1.369(8) . ?
C121 C126 1.411(9) . ?
C122 C123 1.381(8) . ?
C123 C124 1.320(9) . ?
C124 C125 1.441(9) . ?
C125 C126 1.349(9) . ?
C131 C132 1.397(8) . ?
C131 C136 1.401(8) . ?
C132 C133 1.360(8) . ?
C133 C134 1.374(9) . ?
C134 C135 1.360(9) . ?
C135 C136 1.414(9) . ?
C141 C142 1.317(8) . ?
C141 C146 1.429(8) . ?
C142 C143 1.398(8) . ?
C143 C144 1.331(8) . ?
C144 C145 1.416(9) . ?
C145 C146 1.389(8) . ?
C151 C152 1.329(8) . ?
C151 C156 1.438(8) . ?
C152 C153 1.404(8) . ?
C153 C154 1.367(10) . ?
C154 C155 1.396(10) . ?
C155 C156 1.312(8) . ?
C161 C162 1.316(8) . ?
C161 C166 1.339(8) . ?
C162 C163 1.430(9) . ?
C163 C164 1.319(9) . ?
C164 C165 1.383(9) . ?
C165 C166 1.364(9) . ?
C171 C176 1.481(7) . ?
C171 C172 1.553(8) . ?
C172 C173 1.452(8) . ?
C173 C174 1.546(8) . ?
C174 C175 1.522(9) . ?
C175 C176 1.609(8) . ?
C181 C182 1.484(8) . ?
C181 C186 1.509(8) . ?
C182 C183 1.602(9) . ?
C183 C184 1.515(9) . ?
C184 C185 1.614(9) . ?
C185 C186 1.368(9) . ?
C190 C191 1.455(9) . ?
C190 C195 1.556(7) . ?
C191 C192 1.551(9) . ?
C192 C193 1.540(7) . ?
C193 C194 1.520(7) . ?
C193 C198 1.537(7) . ?
C193 C195 1.567(7) . ?
C195 C196 1.513(7) . ?
C195 C197 1.518(7) . ?
C300 C301 1.527(10) . ?
C301 C302 1.3900 . ?
C301 C306 1.3900 . ?
C302 C303 1.3900 . ?
C303 C304 1.3900 . ?
C304 C305 1.3900 . ?
C305 C306 1.3900 . ?
Re21 C201 1.921(9) . ?
Re21 C203 1.929(6) . ?
Re21 C204 1.984(5) . ?
Re21 C202 2.050(6) . ?
Re21 P23 2.4779(15) . ?
Re21 Ag21 2.9430(6) . ?
Re21 Ag22 2.9501(6) . ?
Re21 Re22 3.2350(5) . ?
Re22 C207 1.856(7) . ?
Re22 C206 1.867(6) . ?
Re22 C205 1.953(6) . ?
Re22 O208 2.202(4) . ?
Re22 P23 2.4252(16) . ?
Re22 Ag22 2.9048(5) . ?
Re22 Ag21 2.9522(6) . ?
Ag21 P21 2.4341(16) . ?
Ag21 Ag22 2.7332(7) . ?
Ag21 O209 2.425(4) . ?
Ag22 P22 2.4182(15) . ?
P21 C231 1.812(6) . ?
P21 C221 1.832(6) . ?
P21 C211 1.869(6) . ?
P22 C251 1.797(6) . ?
P22 C241 1.805(6) . ?
P22 C261 1.808(6) . ?
P23 C271 1.849(6) . ?
P23 C281 1.847(6) . ?
O201 C201 1.231(9) . ?
O202 C202 1.065(7) . ?
O203 C203 1.134(7) . ?
O204 C204 1.075(6) . ?
O205 C205 1.172(6) . ?
O206 C206 1.201(7) . ?
O207 C207 1.216(7) . ?
O208 C208 1.239(7) . ?
C208 O209 1.281(7) . ?
C208 C290 1.490(8) . ?
O210 C294 1.406(7) . ?
O210 C290 1.464(7) . ?
O211 C294 1.176(7) . ?
C211 C212 1.295(8) . ?
C211 C216 1.404(8) . ?
C212 C213 1.456(9) . ?
C213 C214 1.364(9) . ?
C214 C215 1.379(10) . ?
C215 C216 1.309(9) . ?
C221 C226 1.379(8) . ?
C221 C222 1.411(8) . ?
C222 C223 1.381(8) . ?
C223 C224 1.440(9) . ?
C224 C225 1.313(9) . ?
C225 C226 1.409(9) . ?
C231 C232 1.365(8) . ?
C231 C236 1.421(8) . ?
C232 C233 1.444(9) . ?
C233 C234 1.410(9) . ?
C234 C235 1.371(9) . ?
C235 C236 1.365(9) . ?
C241 C246 1.391(8) . ?
C241 C242 1.463(8) . ?
C242 C243 1.370(8) . ?
C243 C244 1.463(9) . ?
C244 C245 1.322(9) . ?
C245 C246 1.372(9) . ?
C251 C256 1.325(9) . ?
C251 C252 1.418(8) . ?
C252 C253 1.360(9) . ?
C253 C254 1.370(10) . ?
C254 C255 1.369(11) . ?
C255 C256 1.479(10) . ?
C261 C262 1.430(8) . ?
C261 C266 1.445(8) . ?
C262 C263 1.297(8) . ?
C263 C264 1.427(10) . ?
C264 C265 1.330(9) . ?
C265 C266 1.427(9) . ?
C271 C272 1.530(9) . ?
C271 C276 1.544(8) . ?
C272 C273 1.573(8) . ?
C273 C274 1.502(9) . ?
C274 C275 1.494(8) . ?
C275 C276 1.515(8) . ?
C281 C286 1.568(8) . ?
C281 C282 1.586(8) . ?
C282 C283 1.482(8) . ?
C283 C284 1.520(8) . ?
C284 C285 1.454(9) . ?
C285 C286 1.666(8) . ?
C290 C295 1.546(7) . ?
C290 C291 1.582(9) . ?
C291 C292 1.580(9) . ?
C292 C293 1.538(7) . ?
C293 C294 1.506(7) . ?
C293 C298 1.519(7) . ?
C293 C295 1.557(7) . ?
C295 C296 1.521(7) . ?
C295 C297 1.522(7) . ?
C500 C501 1.523(8) . ?
C501 C502 1.3900 . ?
C501 C506 1.3900 . ?
C502 C503 1.3900 . ?
C503 C504 1.3900 . ?
C504 C505 1.3900 . ?
C505 C506 1.3900 . ?
C600 C601 1.384(8) . ?
C601 C602 1.3900 . ?
C601 C606 1.3900 . ?
C602 C603 1.3900 . ?
C603 C604 1.3900 . ?
C604 C605 1.3900 . ?
C605 C606 1.3900 . ?
