#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/90/4309080.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_4309080
loop_
_publ_author_name
'Dana J. Eisler'
'Richard J. Puddephatt'
_publ_section_title
;
Tetraphosphinite Resorcinarene Complexes: Silver(I) Capsule Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4666
_journal_page_last               4678
_journal_paper_doi               10.1021/ic050095b
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C292.2 H232 Ag10 Cl4.4 F30 O60 P8 S10'
_chemical_formula_weight         7076.22
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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                103.8150(10)
_cell_angle_beta                 109.3890(10)
_cell_angle_gamma                112.2770(10)
_cell_formula_units_Z            1
_cell_length_a                   21.46420(10)
_cell_length_b                   21.7091(2)
_cell_length_c                   23.3969(2)
_cell_measurement_temperature    200(2)
_cell_volume                     8646.2(2)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'phiω scans'
_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  0.042
_diffrn_reflns_av_sigmaI/netI    0.0377
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            131553
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.765
_exptl_absorpt_correction_T_max  0.8497
_exptl_absorpt_correction_T_min  0.7294
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square prism'
_exptl_crystal_F_000             3560
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         3.282
_refine_diff_density_min         -1.938
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1669
_refine_ls_number_reflns         30396
_refine_ls_number_restraints     116
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0830
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1790P)²+23.7400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2585
_refine_ls_wR_factor_ref         0.2863
_reflns_number_gt                22787
_reflns_number_total             30396
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050095bsi20050120_013105_2.cif
_cod_data_source_block           16
_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_formula_sum        'C292.20 H232 Ag10 Cl4.40 F30 O60 P8 S10'
_cod_database_code               4309080
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
Ag1 Ag -0.50348(4) -0.19856(4) 1.21254(4) 0.0753(2) Uani 1 1 d . . .
Ag2 Ag -0.27856(3) -0.18516(3) 1.31373(3) 0.05454(16) Uani 1 1 d . . .
Ag3 Ag -0.54281(4) -0.52178(3) 1.29700(3) 0.06463(18) Uani 1 1 d . . .
Ag4 Ag -0.77952(4) -0.59967(4) 1.19639(4) 0.0806(2) Uani 1 1 d . . .
Ag5 Ag -0.43754(3) -0.43549(4) 1.21430(3) 0.06302(18) Uani 1 1 d . . .
P1 P -0.49220(9) -0.08892(10) 1.20658(8) 0.0439(4) Uani 1 1 d . . .
P2 P -0.19586(8) -0.06047(9) 1.34643(7) 0.0386(3) Uani 1 1 d . . .
P3 P -0.53190(9) -0.61039(9) 1.33385(7) 0.0407(3) Uani 1 1 d . . .
P4 P -0.85118(9) -0.71252(10) 1.19547(8) 0.0471(4) Uani 1 1 d . . .
O1Q O -0.4518(2) -0.0668(2) 1.16060(19) 0.0431(9) Uani 1 1 d . . .
O2Q O -0.2017(2) -0.0285(2) 1.28965(18) 0.0409(9) Uani 1 1 d . . .
O1R O -0.4034(2) -0.0097(2) 1.02113(19) 0.0419(9) Uani 1 1 d . . .
O2R O -0.2782(3) 0.0599(3) 1.0536(3) 0.0677(15) Uani 1 1 d . . .
O3R O -0.3763(2) -0.1216(2) 0.83407(19) 0.0425(9) Uani 1 1 d . . .
O4R O -0.4938(3) -0.1575(3) 0.7569(2) 0.0593(13) Uani 1 1 d . . .
O1S O -0.5764(2) -0.6948(2) 1.27876(18) 0.0417(9) Uani 1 1 d . . .
O2S O -0.8440(2) -0.7790(2) 1.15289(19) 0.0431(10) Uani 1 1 d . . .
O1T O -0.1113(2) -0.0297(2) 0.9816(2) 0.0415(9) Uani 1 1 d . . .
O2T O -0.1925(3) 0.0108(4) 0.9485(3) 0.0707(16) Uani 1 1 d . . .
O3T O -0.1551(2) 0.0386(2) 1.16951(19) 0.0421(9) Uani 1 1 d . . .
O4T O -0.0330(3) 0.0824(3) 1.2429(2) 0.0635(14) Uani 1 1 d . . .
C1Q C -0.3892(3) -0.0758(3) 1.1654(3) 0.0389(12) Uani 1 1 d . . .
C2Q C -0.3903(3) -0.1084(3) 1.1062(3) 0.0358(12) Uani 1 1 d . . .
C3Q C -0.3272(3) -0.1152(3) 1.1105(3) 0.0379(12) Uani 1 1 d . . .
H3QA H -0.3270 -0.1374 1.0703 0.045 Uiso 1 1 calc R . .
C4Q C -0.2639(3) -0.0911(3) 1.1712(3) 0.0359(12) Uani 1 1 d . . .
C5Q C -0.2672(3) -0.0596(3) 1.2283(3) 0.0365(12) Uani 1 1 d . . .
C6Q C -0.3288(3) -0.0516(3) 1.2269(3) 0.0399(13) Uani 1 1 d . . .
H6QA H -0.3294 -0.0301 1.2670 0.048 Uiso 1 1 calc R . .
C7Q C -0.4604(3) -0.1381(3) 1.0391(3) 0.0366(12) Uani 1 1 d . . .
H7QA H -0.4818 -0.1048 1.0445 0.044 Uiso 1 1 calc R . .
C8Q C -0.5211(3) -0.2132(3) 1.0258(3) 0.0384(12) Uani 1 1 d . . .
H8QA H -0.5261 -0.2102 1.0668 0.046 Uiso 1 1 calc R . .
H8QB H -0.5036 -0.2487 1.0161 0.046 Uiso 1 1 calc R . .
C9Q C -0.5996(3) -0.2423(4) 0.9681(3) 0.0496(15) Uani 1 1 d . . .
H9QA H -0.5965 -0.2538 0.9259 0.060 Uiso 1 1 calc R . .
H9QB H -0.6130 -0.2032 0.9737 0.060 Uiso 1 1 calc R . .
C1Q1 C -0.6639(2) -0.3109(3) 0.9620(3) 0.0541(16) Uani 1 1 d G . .
C1Q2 C -0.6519(2) -0.3457(3) 1.0039(3) 0.0619(18) Uani 1 1 d G . .
H1QA H -0.6021 -0.3267 1.0387 0.074 Uiso 1 1 calc R . .
C1Q3 C -0.7127(4) -0.4084(3) 0.9948(3) 0.088(3) Uani 1 1 d G . .
H1QB H -0.7045 -0.4322 1.0235 0.106 Uiso 1 1 calc R . .
C1Q4 C -0.7856(3) -0.4362(4) 0.9439(4) 0.123(5) Uani 1 1 d G . .
H1QC H -0.8271 -0.4790 0.9377 0.148 Uiso 1 1 calc R . .
C1Q5 C -0.7976(2) -0.4014(5) 0.9021(4) 0.166(8) Uani 1 1 d G . .
H1QD H -0.8474 -0.4204 0.8673 0.199 Uiso 1 1 calc R . .
C1Q6 C -0.7367(3) -0.3387(4) 0.9111(3) 0.133(6) Uani 1 1 d G . .
H1QE H -0.7450 -0.3149 0.8825 0.159 Uiso 1 1 calc R . .
C2Q1 C -0.5816(2) -0.0933(3) 1.1617(2) 0.0488(15) Uani 1 1 d G . .
C2Q2 C -0.6039(2) -0.0467(3) 1.1893(2) 0.065(2) Uani 1 1 d G . .
H2QA H -0.5704 -0.0086 1.2330 0.078 Uiso 1 1 calc R . .
C2Q3 C -0.6753(3) -0.0558(3) 1.1530(3) 0.071(2) Uani 1 1 d G . .
H2QB H -0.6905 -0.0239 1.1718 0.085 Uiso 1 1 calc R . .
C2Q4 C -0.7243(3) -0.1115(4) 1.0891(3) 0.082(3) Uani 1 1 d G . .
H2QC H -0.7731 -0.1177 1.0643 0.098 Uiso 1 1 calc R . .
C2Q5 C -0.7020(3) -0.1582(4) 1.0616(3) 0.152(8) Uani 1 1 d G . .
H2QD H -0.7355 -0.1963 1.0179 0.182 Uiso 1 1 calc R . .
C2Q6 C -0.6306(3) -0.1490(4) 1.0979(3) 0.136(6) Uani 1 1 d G . .
H2QE H -0.6154 -0.1809 1.0790 0.163 Uiso 1 1 calc R . .
C3Q1 C -0.4398(3) -0.0070(2) 1.2824(2) 0.0489(15) Uani 1 1 d G . .
C3Q2 C -0.4257(5) -0.0135(4) 1.3425(3) 0.107(4) Uani 1 1 d G . .
H3QB H -0.4431 -0.0605 1.3429 0.129 Uiso 1 1 calc R . .
C3Q3 C -0.3862(6) 0.0489(5) 1.4019(2) 0.170(8) Uani 1 1 d G . .
H3QC H -0.3766 0.0445 1.4429 0.203 Uiso 1 1 calc R . .
C3Q4 C -0.3607(5) 0.1178(4) 1.4012(2) 0.128(5) Uani 1 1 d G . .
H3QD H -0.3337 0.1604 1.4418 0.154 Uiso 1 1 calc R . .
C3Q5 C -0.3747(4) 0.1243(2) 1.3411(3) 0.092(3) Uani 1 1 d G . .
H3QE H -0.3573 0.1713 1.3406 0.110 Uiso 1 1 calc R . .
C3Q6 C -0.4143(3) 0.0619(3) 1.2817(2) 0.0637(19) Uani 1 1 d G . .
H3QF H -0.4239 0.0663 1.2406 0.076 Uiso 1 1 calc R . .
C4Q1 C -0.09596(18) -0.0335(3) 1.3802(2) 0.0468(15) Uani 1 1 d G . .
C4Q2 C -0.0721(3) -0.0771(2) 1.4052(2) 0.0602(19) Uani 1 1 d G . .
H4QA H -0.1081 -0.1202 1.4042 0.072 Uiso 1 1 calc R . .
C4Q3 C 0.0044(3) -0.0577(3) 1.4316(3) 0.084(3) Uani 1 1 d G . .
H4QB H 0.0207 -0.0875 1.4487 0.101 Uiso 1 1 calc R . .
C4Q4 C 0.0570(2) 0.0054(4) 1.4331(3) 0.096(4) Uani 1 1 d G . .
H4QC H 0.1093 0.0187 1.4511 0.115 Uiso 1 1 calc R . .
C4Q5 C 0.0332(2) 0.0490(3) 1.4081(3) 0.085(3) Uani 1 1 d G . .
H4QD H 0.0692 0.0921 1.4091 0.102 Uiso 1 1 calc R . .
C4Q6 C -0.0433(3) 0.0295(2) 1.3816(2) 0.064(2) Uani 1 1 d G . .
H4QE H -0.0596 0.0593 1.3646 0.077 Uiso 1 1 calc R . .
C5Q1 C -0.1992(3) 0.0025(2) 1.4094(2) 0.0488(15) Uani 1 1 d G . .
C5Q2 C -0.1656(4) 0.0769(3) 1.4243(3) 0.088(3) Uani 1 1 d G . .
H5QA H -0.1438 0.0950 1.3984 0.105 Uiso 1 1 calc R . .
C5Q3 C -0.1637(5) 0.1249(3) 1.4771(4) 0.127(5) Uani 1 1 d G . .
H5QB H -0.1407 0.1757 1.4873 0.152 Uiso 1 1 calc R . .
C5Q4 C -0.1954(5) 0.0984(4) 1.5151(3) 0.121(5) Uani 1 1 d G . .
H5QC H -0.1942 0.1311 1.5512 0.145 Uiso 1 1 calc R . .
C5Q5 C -0.2291(4) 0.0240(4) 1.5002(3) 0.100(4) Uani 1 1 d G . .
H5QD H -0.2508 0.0059 1.5261 0.120 Uiso 1 1 calc R . .
C5Q6 C -0.2310(3) -0.0240(3) 1.4474(3) 0.069(2) Uani 1 1 d G . .
H5QE H -0.2540 -0.0748 1.4372 0.083 Uiso 1 1 calc R . .
S1Q S -0.42763(9) -0.30883(9) 1.15958(7) 0.0437(3) Uani 1 1 d . . .
O3Q O -0.4470(3) -0.2529(3) 1.1566(2) 0.0586(12) Uani 1 1 d . . .
O4Q O -0.4834(3) -0.3708(3) 1.1615(3) 0.0592(12) Uani 1 1 d . . .
O5Q O -0.3504(3) -0.2832(3) 1.2061(2) 0.0547(11) Uani 1 1 d . . .
C10Q C -0.4333(4) -0.3468(4) 1.0782(3) 0.0561(17) Uani 1 1 d . . .
F1Q F -0.4149(4) -0.3977(4) 1.0735(2) 0.105(2) Uani 1 1 d . . .
F2Q F -0.5035(3) -0.3763(3) 1.0303(2) 0.0822(15) Uani 1 1 d . . .
F3Q F -0.3898(3) -0.2954(3) 1.0662(2) 0.0867(15) Uani 1 1 d . . .
S2Q S -0.23296(10) -0.26730(11) 1.42042(8) 0.0565(4) Uani 1 1 d . . .
O6Q O -0.2556(4) -0.2669(3) 1.3551(2) 0.0669(14) Uani 1 1 d . . .
O7Q O -0.2004(4) -0.1994(4) 1.4740(3) 0.095(2) Uani 1 1 d . . .
O8Q O -0.2878(3) -0.3311(4) 1.4208(3) 0.0732(16) Uani 1 1 d . . .
C11Q C -0.1538(5) -0.2843(7) 1.4337(4) 0.081(3) Uani 1 1 d . . .
F4Q F -0.0973(4) -0.2315(5) 1.4319(4) 0.129(3) Uani 1 1 d . . .
F5Q F -0.1743(5) -0.3471(5) 1.3878(4) 0.117(2) Uani 1 1 d . . .
F6Q F -0.1260(4) -0.2868(5) 1.4916(3) 0.129(3) Uani 1 1 d . . .
S3Q S -0.4281(2) -0.22995(17) 1.35541(17) 0.1007(9) Uani 1 1 d D . .
O9Q O -0.3595(5) -0.2138(6) 1.4173(5) 0.150(4) Uani 1 1 d D . .
O10Q O -0.4889(4) -0.3073(4) 1.3196(4) 0.102(2) Uani 1 1 d D . .
O11Q O -0.4062(4) -0.1956(4) 1.3163(3) 0.0865(19) Uani 1 1 d D . .
C12Q C -0.4657(7) -0.1833(6) 1.3972(5) 0.126(5) Uani 1 1 d D . .
F7Q F -0.5275(5) -0.1949(7) 1.3456(6) 0.173(4) Uani 1 1 d D . .
F8Q F -0.4811(6) -0.2132(5) 1.4366(4) 0.141(3) Uani 1 1 d D . .
F9Q F -0.4094(6) -0.1145(5) 1.4348(4) 0.137(3) Uani 1 1 d D . .
C1R C -0.4094(3) -0.0707(3) 0.9764(3) 0.0387(12) Uani 1 1 d . . .
C2R C -0.4395(3) -0.1354(3) 0.9835(3) 0.0354(12) Uani 1 1 d . . .
C3R C -0.4482(3) -0.1971(3) 0.9378(3) 0.0364(12) Uani 1 1 d . . .
H3RA H -0.4673 -0.2420 0.9424 0.044 Uiso 1 1 calc R . .
C4R C -0.4298(3) -0.1954(3) 0.8858(3) 0.0364(12) Uani 1 1 d . . .
C5R C -0.4008(3) -0.1285(3) 0.8824(3) 0.0394(13) Uani 1 1 d . . .
C6R C -0.3897(3) -0.0652(4) 0.9267(3) 0.0424(13) Uani 1 1 d . . .
H6RA H -0.3694 -0.0200 0.9230 0.051 Uiso 1 1 calc R . .
C7R C -0.5607(3) -0.7389(3) 1.1645(3) 0.0371(12) Uani 1 1 d . . .
H7RA H -0.5301 -0.7350 1.2095 0.045 Uiso 1 1 calc R . .
C8R C -0.5167(3) -0.6648(3) 1.1633(3) 0.0408(13) Uani 1 1 d . . .
H8RA H -0.5379 -0.6700 1.1167 0.049 Uiso 1 1 calc R . .
H8RB H -0.5249 -0.6282 1.1895 0.049 Uiso 1 1 calc R . .
C9R C -0.4315(3) -0.6362(4) 1.1912(3) 0.0435(13) Uani 1 1 d . . .
H9RA H -0.4230 -0.6734 1.1664 0.052 Uiso 1 1 calc R . .
H9RB H -0.4095 -0.6284 1.2386 0.052 Uiso 1 1 calc R . .
C1R1 C -0.3904(2) -0.56386(19) 1.18613(19) 0.0435(14) Uani 1 1 d G . .
C1R2 C -0.3905(3) -0.5658(2) 1.12627(17) 0.0573(17) Uani 1 1 d G . .
H1RA H -0.4145 -0.6115 1.0894 0.069 Uiso 1 1 calc R . .
C1R3 C -0.3556(3) -0.5008(3) 1.1203(2) 0.072(2) Uani 1 1 d G . .
H1RB H -0.3557 -0.5021 1.0794 0.086 Uiso 1 1 calc R . .
C1R4 C -0.3205(3) -0.4339(2) 1.1743(3) 0.072(2) Uani 1 1 d G . .
H1RC H -0.2967 -0.3895 1.1702 0.086 Uiso 1 1 calc R . .
C1R5 C -0.3204(3) -0.43201(19) 1.2341(2) 0.062(2) Uani 1 1 d G . .
H1RD H -0.2964 -0.3863 1.2710 0.075 Uiso 1 1 calc R . .
C1R6 C -0.3553(3) -0.4970(2) 1.24005(16) 0.0550(17) Uani 1 1 d G . .
H1RE H -0.3551 -0.4957 1.2810 0.066 Uiso 1 1 calc R . .
C10R C -0.3341(4) 0.0530(4) 1.0588(3) 0.0457(14) Uani 1 1 d . . .
C2R1 C -0.3371(2) 0.10992(19) 1.10585(18) 0.0426(13) Uani 1 1 d G . .
C2R2 C -0.40149(18) 0.09629(18) 1.11425(19) 0.0446(14) Uani 1 1 d G . .
H2RA H -0.4470 0.0502 1.0871 0.054 Uiso 1 1 calc R . .
C2R3 C -0.3993(2) 0.1501(2) 1.1624(2) 0.0515(16) Uani 1 1 d G . .
H2RB H -0.4433 0.1408 1.1682 0.062 Uiso 1 1 calc R . .
C2R4 C -0.3327(2) 0.2176(2) 1.20216(19) 0.0526(16) Uani 1 1 d G . .
C2R5 C -0.26839(19) 0.23125(18) 1.1938(2) 0.0586(18) Uani 1 1 d G . .
H2RC H -0.2229 0.2774 1.2209 0.070 Uiso 1 1 calc R . .
C2R6 C -0.27059(18) 0.1774(2) 1.1456(2) 0.0533(16) Uani 1 1 d G . .
H2RD H -0.2266 0.1867 1.1399 0.064 Uiso 1 1 calc R . .
C11R C -0.3280(5) 0.2757(5) 1.2581(4) 0.069(2) Uani 1 1 d . . .
H11A H -0.2774 0.3195 1.2809 0.104 Uiso 1 1 calc R . .
H11B H -0.3369 0.2562 1.2902 0.104 Uiso 1 1 calc R . .
H11C H -0.3669 0.2885 1.2392 0.104 Uiso 1 1 calc R . .
C12R C -0.4281(4) -0.1400(4) 0.7721(3) 0.0443(14) Uani 1 1 d . . .
C3R1 C -0.3937(2) -0.1354(3) 0.72647(18) 0.0484(15) Uani 1 1 d G . .
C3R2 C -0.4361(2) -0.1424(4) 0.6633(2) 0.068(2) Uani 1 1 d G . .
H3RB H -0.4862 -0.1496 0.6499 0.081 Uiso 1 1 calc R . .
C3R3 C -0.4053(3) -0.1388(4) 0.6197(2) 0.101(4) Uani 1 1 d G . .
H3RC H -0.4342 -0.1436 0.5765 0.121 Uiso 1 1 calc R . .
C3R4 C -0.3320(3) -0.1282(4) 0.6393(2) 0.082(3) Uani 1 1 d G . .
C3R5 C -0.2896(2) -0.1212(4) 0.7025(2) 0.069(2) Uani 1 1 d G . .
H3RD H -0.2395 -0.1139 0.7158 0.082 Uiso 1 1 calc R . .
C3R6 C -0.3204(2) -0.1248(3) 0.74606(17) 0.0522(16) Uani 1 1 d G . .
H3RE H -0.2914 -0.1200 0.7892 0.063 Uiso 1 1 calc R . .
C13R C -0.2963(8) -0.1232(11) 0.5927(6) 0.144(7) Uani 1 1 d . . .
H13A H -0.2449 -0.1159 0.6149 0.216 Uiso 1 1 calc R . .
H13B H -0.2933 -0.0818 0.5815 0.216 Uiso 1 1 calc R . .
H13C H -0.3278 -0.1686 0.5518 0.216 Uiso 1 1 calc R . .
C1S C -0.6413(3) -0.7242(3) 1.2185(3) 0.0376(12) Uani 1 1 d . . .
C2S C -0.6372(3) -0.7505(3) 1.1604(3) 0.0364(12) Uani 1 1 d . . .
C3S C -0.7037(3) -0.7850(3) 1.1004(3) 0.0387(12) Uani 1 1 d . . .
H3SA H -0.7016 -0.8030 1.0603 0.046 Uiso 1 1 calc R . .
C4S C -0.7727(3) -0.7945(3) 1.0962(3) 0.0347(11) Uani 1 1 d . . .
C5S C -0.7737(3) -0.7677(3) 1.1566(3) 0.0393(12) Uani 1 1 d . . .
C6S C -0.7090(3) -0.7322(3) 1.2175(3) 0.0405(13) Uani 1 1 d . . .
H6SA H -0.7108 -0.7137 1.2577 0.049 Uiso 1 1 calc R . .
C7S C -0.1558(3) -0.1723(3) 0.9697(3) 0.0363(12) Uani 1 1 d . . .
H7SA H -0.1114 -0.1447 0.9631 0.044 Uiso 1 1 calc R . .
C8S C -0.1468(3) -0.2341(3) 0.9854(3) 0.0400(13) Uani 1 1 d . . .
H8SA H -0.1866 -0.2588 0.9974 0.048 Uiso 1 1 calc R . .
H8SB H -0.1560 -0.2707 0.9445 0.048 Uiso 1 1 calc R . .
C9S C -0.0698(4) -0.2102(4) 1.0411(3) 0.0499(15) Uani 1 1 d . . .
H9SA H -0.0657 -0.1836 1.0841 0.060 Uiso 1 1 calc R . .
H9SB H -0.0294 -0.1756 1.0349 0.060 Uiso 1 1 calc R . .
C1S1 C -0.0556(3) -0.2729(3) 1.0449(3) 0.0631(19) Uani 1 1 d G . .
C1S2 C 0.0168(3) -0.2540(4) 1.0908(4) 0.120(5) Uani 1 1 d G . .
H1SA H 0.0541 -0.2039 1.1184 0.143 Uiso 1 1 calc R . .
C1S3 C 0.0344(4) -0.3084(5) 1.0961(5) 0.170(8) Uani 1 1 d G . .
H1SB H 0.0839 -0.2955 1.1275 0.204 Uiso 1 1 calc R . .
C1S4 C -0.0203(5) -0.3817(4) 1.0556(5) 0.163(8) Uani 1 1 d G . .
H1SC H -0.0082 -0.4188 1.0593 0.195 Uiso 1 1 calc R . .
C1S5 C -0.0926(4) -0.4005(3) 1.0098(4) 0.102(3) Uani 1 1 d G . .
H1SD H -0.1300 -0.4506 0.9821 0.122 Uiso 1 1 calc R . .
C1S6 C -0.1103(3) -0.3461(3) 1.0044(3) 0.069(2) Uani 1 1 d G . .
H1SE H -0.1597 -0.3591 0.9730 0.083 Uiso 1 1 calc R . .
C2S1 C -0.43588(18) -0.5959(2) 1.3684(2) 0.0470(15) Uani 1 1 d G . .
C2S2 C -0.3757(3) -0.5249(2) 1.3944(2) 0.0597(19) Uani 1 1 d G . .
H2SA H -0.3857 -0.4862 1.3927 0.072 Uiso 1 1 calc R . .
C2S3 C -0.3009(2) -0.5107(3) 1.4229(3) 0.090(3) Uani 1 1 d G . .
H2SB H -0.2598 -0.4622 1.4408 0.108 Uiso 1 1 calc R . .
C2S4 C -0.2863(2) -0.5674(4) 1.4254(3) 0.102(4) Uani 1 1 d G . .
H2SC H -0.2352 -0.5576 1.4449 0.122 Uiso 1 1 calc R . .
C2S5 C -0.3464(3) -0.6383(3) 1.3994(3) 0.096(4) Uani 1 1 d G . .
H2SD H -0.3364 -0.6771 1.4011 0.115 Uiso 1 1 calc R . .
C2S6 C -0.4212(3) -0.6526(2) 1.3708(3) 0.067(2) Uani 1 1 d G . .
H2SE H -0.4624 -0.7010 1.3530 0.080 Uiso 1 1 calc R . .
C3S1 C -0.5620(3) -0.6189(3) 1.3957(2) 0.0570(18) Uani 1 1 d G . .
C3S2 C -0.5620(6) -0.6712(4) 1.4204(4) 0.132(6) Uani 1 1 d G . .
H3SB H -0.5462 -0.7039 1.4042 0.158 Uiso 1 1 calc R . .
C3S3 C -0.5851(7) -0.6756(5) 1.4689(5) 0.158(7) Uani 1 1 d G . .
H3SC H -0.5852 -0.7113 1.4858 0.190 Uiso 1 1 calc R . .
C3S4 C -0.6082(5) -0.6277(5) 1.4927(4) 0.125(5) Uani 1 1 d G . .
H3SD H -0.6240 -0.6307 1.5259 0.150 Uiso 1 1 calc R . .
C3S5 C -0.6082(5) -0.5755(5) 1.4680(4) 0.138(6) Uani 1 1 d G . .
H3SE H -0.6240 -0.5428 1.4843 0.165 Uiso 1 1 calc R . .
C3S6 C -0.5851(5) -0.5711(4) 1.4195(4) 0.099(3) Uani 1 1 d G . .
H3SF H -0.5850 -0.5354 1.4027 0.118 Uiso 1 1 calc R . .
C4S1 C -0.9532(2) -0.7493(3) 1.1514(2) 0.0565(18) Uani 1 1 d G . .
C4S2 C -1.0021(3) -0.7804(3) 1.1758(2) 0.066(2) Uani 1 1 d G . .
H4SB H -0.9827 -0.7848 1.2165 0.079 Uiso 1 1 calc R . .
C4S3 C -1.0795(2) -0.8050(3) 1.1406(3) 0.074(2) Uani 1 1 d G . .
H4SC H -1.1130 -0.8262 1.1573 0.088 Uiso 1 1 calc R . .
C4S4 C -1.1080(2) -0.7985(5) 1.0810(3) 0.090(3) Uani 1 1 d G . .
H4SD H -1.1608 -0.8153 1.0569 0.108 Uiso 1 1 calc R . .
C4S5 C -1.0590(3) -0.7674(6) 1.0565(3) 0.186(10) Uani 1 1 d G . .
H4SE H -1.0784 -0.7630 1.0158 0.224 Uiso 1 1 calc R . .
C4S6 C -0.9816(3) -0.7428(5) 1.0917(3) 0.142(7) Uani 1 1 d G . .
H4SF H -0.9481 -0.7216 1.0750 0.170 Uiso 1 1 calc R . .
C5S1 C -0.8348(3) -0.7198(3) 1.2732(2) 0.060(2) Uani 1 1 d G . .
C5S2 C -0.8135(5) -0.6595(3) 1.3283(3) 0.121(5) Uani 1 1 d G . .
H5SA H -0.8048 -0.6145 1.3252 0.146 Uiso 1 1 calc R . .
C5S3 C -0.8050(5) -0.6652(5) 1.3881(2) 0.168(8) Uani 1 1 d G . .
H5SB H -0.7905 -0.6240 1.4257 0.201 Uiso 1 1 calc R . .
C5S4 C -0.8178(5) -0.7312(6) 1.3927(3) 0.132(6) Uani 1 1 d G . .
H5SC H -0.8120 -0.7350 1.4335 0.159 Uiso 1 1 calc R . .
C5S5 C -0.8391(4) -0.7914(5) 1.3376(4) 0.113(5) Uani 1 1 d G . .
H5SD H -0.8478 -0.8365 1.3408 0.136 Uiso 1 1 calc R . .
C5S6 C -0.8476(3) -0.7857(3) 1.2779(3) 0.079(3) Uani 1 1 d G . .
H5SE H -0.8622 -0.8269 1.2402 0.095 Uiso 1 1 calc R . .
S1S S -0.64100(10) -0.53994(10) 1.13708(9) 0.0525(4) Uani 1 1 d . . .
O3S O -0.5665(3) -0.5223(3) 1.1862(2) 0.0615(13) Uani 1 1 d . . .
O4S O -0.7029(3) -0.5998(3) 1.1350(3) 0.0671(14) Uani 1 1 d . . .
O5S O -0.6500(3) -0.4783(3) 1.1364(3) 0.0710(14) Uani 1 1 d . . .
C10S C -0.6405(5) -0.5770(5) 1.0576(4) 0.065(2) Uani 1 1 d . . .
F1S F -0.7027(4) -0.5899(4) 1.0078(3) 0.108(2) Uani 1 1 d . . .
F2S F -0.5817(4) -0.5329(4) 1.0568(3) 0.105(2) Uani 1 1 d . . .
F3S F -0.6449(4) -0.6417(3) 1.0472(3) 0.0912(16) Uani 1 1 d . . .
S2S S -0.6378(3) -0.4399(3) 1.3371(3) 0.1620(17) Uiso 1 1 d D . .
O6S O -0.7028(10) -0.5152(9) 1.3164(10) 0.254(8) Uiso 1 1 d D . .
O7S O -0.6592(10) -0.3947(9) 1.3034(8) 0.219(6) Uiso 1 1 d D . .
O8S O -0.5578(9) -0.4238(11) 1.3558(10) 0.244(8) Uiso 1 1 d D . .
C11S C -0.6474(10) -0.4108(10) 1.4123(6) 0.241(13) Uiso 1 1 d D . .
F4S F -0.7215(10) -0.4331(12) 1.3925(9) 0.290(8) Uiso 1 1 d D . .
F5S F -0.6201(10) -0.4390(10) 1.4528(6) 0.256(7) Uiso 1 1 d D . .
F6S F -0.5948(10) -0.3404(8) 1.4508(6) 0.263(7) Uiso 1 1 d D . .
C1T C -0.1348(3) -0.0467(3) 1.0275(3) 0.0381(12) Uani 1 1 d . . .
C2T C -0.1548(3) -0.1171(3) 1.0244(3) 0.0361(12) Uani 1 1 d . . .
C3T C -0.1748(3) -0.1332(3) 1.0720(3) 0.0347(11) Uani 1 1 d . . .
H3TA H -0.1897 -0.1810 1.0704 0.042 Uiso 1 1 calc R . .
C4T C -0.1740(3) -0.0821(3) 1.1223(3) 0.0350(12) Uani 1 1 d . . .
C5T C -0.1522(3) -0.0134(3) 1.1226(3) 0.0382(12) Uani 1 1 d . . .
C6T C -0.1325(3) 0.0058(4) 1.0762(3) 0.0435(13) Uani 1 1 d . . .
H6TA H -0.1180 0.0536 1.0778 0.052 Uiso 1 1 calc R . .
C7T C -0.1943(3) -0.0976(3) 1.1761(3) 0.0374(12) Uani 1 1 d . . .
H7TA H -0.1506 -0.0578 1.2199 0.045 Uiso 1 1 calc R . .
C8T C -0.2034(3) -0.1706(4) 1.1791(3) 0.0415(13) Uani 1 1 d . . .
H8TA H -0.2368 -0.2106 1.1336 0.050 Uiso 1 1 calc R . .
H8TB H -0.2281 -0.1819 1.2071 0.050 Uiso 1 1 calc R . .
C9T C -0.1253(3) -0.1667(4) 1.2083(3) 0.0479(15) Uani 1 1 d . . .
H9TA H -0.0986 -0.1505 1.1828 0.057 Uiso 1 1 calc R . .
H9TB H -0.0938 -0.1296 1.2551 0.057 Uiso 1 1 calc R . .
C1T1 C -0.1326(3) -0.2402(2) 1.2061(2) 0.0509(16) Uani 1 1 d G . .
C1T2 C -0.1187(4) -0.2536(3) 1.26292(19) 0.074(2) Uani 1 1 d G . .
H1TA H -0.1065 -0.2176 1.3034 0.088 Uiso 1 1 calc R . .
C1T3 C -0.1228(4) -0.3197(3) 1.2605(2) 0.091(3) Uani 1 1 d G . .
H1TB H -0.1133 -0.3289 1.2994 0.109 Uiso 1 1 calc R . .
C1T4 C -0.1407(4) -0.3723(3) 1.2013(3) 0.084(3) Uani 1 1 d G . .
H1TC H -0.1435 -0.4175 1.1996 0.101 Uiso 1 1 calc R . .
C1T5 C -0.1546(4) -0.3589(3) 1.1444(2) 0.083(3) Uani 1 1 d G . .
H1TD H -0.1668 -0.3949 1.1039 0.100 Uiso 1 1 calc R . .
C1T6 C -0.1505(3) -0.2928(3) 1.14680(19) 0.066(2) Uani 1 1 d G . .
H1TE H -0.1600 -0.2836 1.1079 0.079 Uiso 1 1 calc R . .
C10T C -0.1453(4) -0.0024(4) 0.9435(3) 0.0450(14) Uani 1 1 d . . .
C2T1 C -0.1169(2) 0.0077(3) 0.89438(18) 0.0438(14) Uani 1 1 d G . .
C2T2 C -0.1441(3) 0.0398(3) 0.8551(2) 0.0576(17) Uani 1 1 d G . .
H2TA H -0.1759 0.0579 0.8627 0.069 Uiso 1 1 calc R . .
C2T3 C -0.1248(3) 0.0455(3) 0.8047(2) 0.0632(19) Uani 1 1 d G . .
H2TB H -0.1434 0.0675 0.7779 0.076 Uiso 1 1 calc R . .
C2T4 C -0.0783(3) 0.0190(3) 0.7936(2) 0.0563(18) Uani 1 1 d G . .
C2T5 C -0.0511(3) -0.0131(3) 0.8329(2) 0.063(2) Uani 1 1 d G . .
H2TC H -0.0193 -0.0313 0.8253 0.076 Uiso 1 1 calc R . .
C2T6 C -0.0704(3) -0.0188(3) 0.8833(2) 0.0515(16) Uani 1 1 d G . .
H2TD H -0.0518 -0.0408 0.9101 0.062 Uiso 1 1 calc R . .
C11T C -0.0620(5) 0.0213(6) 0.7351(4) 0.083(3) Uani 1 1 d . . .
H11D H -0.0291 0.0004 0.7335 0.124 Uiso 1 1 calc R . .
H11E H -0.0363 0.0723 0.7409 0.124 Uiso 1 1 calc R . .
H11F H -0.1101 -0.0071 0.6933 0.124 Uiso 1 1 calc R . .
C12T C -0.0911(4) 0.0836(4) 1.2295(3) 0.0444(14) Uani 1 1 d . . .
C3T1 C -0.1047(2) 0.1325(2) 1.27416(18) 0.0455(14) Uani 1 1 d G . .
C3T2 C -0.0428(2) 0.1882(3) 1.3342(2) 0.0611(18) Uani 1 1 d G . .
H3TB H 0.0068 0.1950 1.3453 0.073 Uiso 1 1 calc R . .
C3T3 C -0.0536(3) 0.2339(3) 1.37799(19) 0.083(3) Uani 1 1 d G . .
H3TC H -0.0113 0.2719 1.4190 0.100 Uiso 1 1 calc R . .
C3T4 C -0.1262(3) 0.2239(3) 1.3617(2) 0.072(2) Uani 1 1 d G . .
C3T5 C -0.1881(2) 0.1681(3) 1.3017(2) 0.0628(19) Uani 1 1 d G . .
H3TD H -0.2377 0.1613 1.2906 0.075 Uiso 1 1 calc R . .
C3T6 C -0.1773(2) 0.1224(2) 1.25791(18) 0.0510(15) Uani 1 1 d G . .
H3TE H -0.2196 0.0844 1.2169 0.061 Uiso 1 1 calc R . .
C13T C -0.1411(9) 0.2727(7) 1.4084(6) 0.122(5) Uani 1 1 d . . .
H13D H -0.1958 0.2564 1.3883 0.183 Uiso 1 1 calc R . .
H13E H -0.1124 0.3236 1.4152 0.183 Uiso 1 1 calc R . .
H13F H -0.1247 0.2694 1.4514 0.183 Uiso 1 1 calc R . .
O300 O -0.4378(3) -0.4049(3) 1.3215(2) 0.0572(12) Uani 1 1 d . . .
O200 O -0.5876(4) -0.3170(4) 1.1852(6) 0.131(4) Uani 1 1 d . . .
O100 O -0.7756(6) -0.5040(5) 1.1692(5) 0.123(3) Uani 1 1 d . . .
Cl11 Cl -0.8239(10) -0.3863(10) 1.0946(9) 0.168(6) Uiso 0.30 1 d PD . .
Cl10 Cl -0.7175(13) -0.2401(12) 1.1802(12) 0.223(9) Uiso 0.30 1 d PD . .
C100 C -0.757(3) -0.3079(14) 1.1090(19) 0.146(18) Uiso 0.30 1 d PD . .
Cl41 Cl -1.0428(17) -0.6505(18) 1.2865(14) 0.147(9) Uiso 0.15 1 d PD . .
Cl40 Cl -0.916(2) -0.571(3) 1.4131(18) 0.219(18) Uiso 0.15 1 d PD . .
C400 C -0.952(2) -0.600(6) 1.333(2) 0.15(4) Uiso 0.15 1 d PD . .
C200 C -0.061(2) 0.2520(13) 1.7235(19) 0.182(19) Uiso 0.20 1 d PD A 1
Cl20 Cl -0.1300(12) 0.1742(11) 1.7071(11) 0.141(6) Uiso 0.20 1 d PD A 1
Cl21 Cl -0.066(3) 0.3253(15) 1.747(2) 0.268(19) Uiso 0.20 1 d PD A 1
C201 C -0.061(2) 0.2520(13) 1.7235(19) 0.182(19) Uiso 0.20 1 d PD B 2
Cl22 Cl -0.0892(15) 0.1654(11) 1.6946(13) 0.159(8) Uiso 0.20 1 d PD B 2
Cl23 Cl -0.0700(17) 0.2887(14) 1.6699(14) 0.174(9) Uiso 0.20 1 d PD B 2
Cl31 Cl -0.2092(13) 0.3135(15) 1.5419(13) 0.194(9) Uiso 0.125 1 d PD C 1
Cl30 Cl -0.069(2) 0.325(3) 1.610(2) 0.185(16) Uiso 0.125 1 d PD C 1
C300 C -0.122(3) 0.362(3) 1.600(5) 0.15(5) Uiso 0.125 1 d PD C 1
Cl32 Cl -0.308(2) 0.225(2) 1.580(2) 0.168(14) Uiso 0.125 1 d PD D 2
Cl33 Cl -0.2092(13) 0.3135(15) 1.5419(13) 0.194(9) Uiso 0.125 1 d PD D 2
C301 C -0.223(3) 0.284(7) 1.596(4) 0.17(6) Uiso 0.125 1 d PD D 2
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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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
O200 Ag1 P1 144.6(2) . . ?
O200 Ag1 O3Q 84.4(3) . . ?
P1 Ag1 O3Q 115.35(13) . . ?
O200 Ag1 O11Q 90.1(3) . . ?
P1 Ag1 O11Q 120.12(18) . . ?
O3Q Ag1 O11Q 82.60(19) . . ?
O6Q Ag2 P2 129.36(16) . . ?
O6Q Ag2 O5Q 87.18(18) . . ?
P2 Ag2 O5Q 129.14(13) . . ?
P3 Ag3 O8S 124.3(5) . . ?
P3 Ag3 O300 126.30(13) . . ?
O8S Ag3 O300 71.8(4) . . ?
P3 Ag3 O3S 127.77(14) . . ?
O8S Ag3 O3S 106.9(5) . . ?
O300 Ag3 O3S 76.11(17) . . ?
O100 Ag4 P4 149.1(3) . . ?
O100 Ag4 O6S 90.4(5) . . ?
P4 Ag4 O6S 103.9(4) . . ?
O100 Ag4 O4S 81.5(3) . . ?
P4 Ag4 O4S 115.44(14) . . ?
O6S Ag4 O4S 114.5(4) . . ?
O4Q Ag5 C1R5 125.07(18) . . ?
O4Q Ag5 O3S 90.26(17) . . ?
C1R5 Ag5 O3S 138.97(17) . . ?
O4Q Ag5 O300 107.63(18) . . ?
C1R5 Ag5 O300 106.54(17) . . ?
O3S Ag5 O300 76.91(17) . . ?
O4Q Ag5 C1R6 153.66(15) . . ?
C1R5 Ag5 C1R6 32.12(6) . . ?
O3S Ag5 C1R6 107.62(16) . . ?
O300 Ag5 C1R6 95.42(15) . . ?
O1Q P1 C3Q1 104.2(2) . . ?
O1Q P1 C2Q1 99.5(2) . . ?
C3Q1 P1 C2Q1 105.1(2) . . ?
O1Q P1 Ag1 111.87(17) . . ?
C3Q1 P1 Ag1 119.01(17) . . ?
C2Q1 P1 Ag1 114.9(2) . . ?
O2Q P2 C5Q1 103.8(2) . . ?
O2Q P2 C4Q1 98.1(2) . . ?
C5Q1 P2 C4Q1 103.9(2) . . ?
O2Q P2 Ag2 118.80(16) . . ?
C5Q1 P2 Ag2 115.25(17) . . ?
C4Q1 P2 Ag2 114.63(17) . . ?
O1S P3 C3S1 103.2(3) . . ?
O1S P3 C2S1 98.8(2) . . ?
C3S1 P3 C2S1 105.9(3) . . ?
O1S P3 Ag3 118.32(16) . . ?
C3S1 P3 Ag3 115.0(2) . . ?
C2S1 P3 Ag3 113.60(17) . . ?
O2S P4 C5S1 104.2(3) . . ?
O2S P4 C4S1 100.2(3) . . ?
C5S1 P4 C4S1 104.2(2) . . ?
O2S P4 Ag4 113.45(17) . . ?
C5S1 P4 Ag4 119.1(2) . . ?
C4S1 P4 Ag4 113.6(2) . . ?
C1Q O1Q P1 120.1(4) . . ?
C5Q O2Q P2 124.5(4) . . ?
C10R O1R C1R 118.9(5) . . ?
C12R O3R C5R 118.9(5) . . ?
C1S O1S P3 123.9(4) . . ?
C5S O2S P4 121.1(4) . . ?
C10T O1T C1T 119.0(4) . . ?
C12T O3T C5T 117.4(4) . . ?
C6Q C1Q C2Q 122.2(5) . . ?
C6Q C1Q O1Q 120.9(5) . . ?
C2Q C1Q O1Q 117.0(5) . . ?
C1Q C2Q C3Q 117.4(5) . . ?
C1Q C2Q C7Q 120.4(5) . . ?
C3Q C2Q C7Q 122.1(5) . . ?
C2Q C3Q C4Q 123.1(5) . . ?
C5Q C4Q C3Q 116.1(5) . . ?
C5Q C4Q C7T 120.6(5) . . ?
C3Q C4Q C7T 123.3(5) . . ?
C6Q C5Q C4Q 123.1(5) . . ?
C6Q C5Q O2Q 119.3(5) . . ?
C4Q C5Q O2Q 117.3(5) . . ?
C1Q C6Q C5Q 118.1(5) . . ?
C2R C7Q C8Q 115.3(5) . . ?
C2R C7Q C2Q 112.2(4) . . ?
C8Q C7Q C2Q 108.9(5) . . ?
C7Q C8Q C9Q 114.3(5) . . ?
C8Q C9Q C1Q1 114.6(5) . . ?
C1Q2 C1Q1 C1Q6 120.0 . . ?
C1Q2 C1Q1 C9Q 123.1(4) . . ?
C1Q6 C1Q1 C9Q 116.9(4) . . ?
C1Q1 C1Q2 C1Q3 120.0 . . ?
C1Q4 C1Q3 C1Q2 120.0 . . ?
C1Q3 C1Q4 C1Q5 120.0 . . ?
C1Q6 C1Q5 C1Q4 120.0 . . ?
C1Q5 C1Q6 C1Q1 120.0 . . ?
C2Q2 C2Q1 C2Q6 120.0 . . ?
C2Q2 C2Q1 P1 123.3(3) . . ?
C2Q6 C2Q1 P1 116.7(3) . . ?
C2Q3 C2Q2 C2Q1 120.0 . . ?
C2Q4 C2Q3 C2Q2 120.0 . . ?
C2Q3 C2Q4 C2Q5 120.0 . . ?
C2Q6 C2Q5 C2Q4 120.0 . . ?
C2Q5 C2Q6 C2Q1 120.0 . . ?
C3Q2 C3Q1 C3Q6 120.0 . . ?
C3Q2 C3Q1 P1 118.7(3) . . ?
C3Q6 C3Q1 P1 121.3(3) . . ?
C3Q1 C3Q2 C3Q3 120.0 . . ?
C3Q4 C3Q3 C3Q2 120.0 . . ?
C3Q5 C3Q4 C3Q3 120.0 . . ?
C3Q4 C3Q5 C3Q6 120.0 . . ?
C3Q5 C3Q6 C3Q1 120.0 . . ?
C4Q2 C4Q1 C4Q6 120.0 . . ?
C4Q2 C4Q1 P2 118.7(3) . . ?
C4Q6 C4Q1 P2 121.3(3) . . ?
C4Q3 C4Q2 C4Q1 120.0 . . ?
C4Q4 C4Q3 C4Q2 120.0 . . ?
C4Q3 C4Q4 C4Q5 120.0 . . ?
C4Q6 C4Q5 C4Q4 120.0 . . ?
C4Q5 C4Q6 C4Q1 120.0 . . ?
C5Q2 C5Q1 C5Q6 120.0 . . ?
C5Q2 C5Q1 P2 121.7(3) . . ?
C5Q6 C5Q1 P2 118.1(3) . . ?
C5Q1 C5Q2 C5Q3 120.0 . . ?
C5Q4 C5Q3 C5Q2 120.0 . . ?
C5Q3 C5Q4 C5Q5 120.0 . . ?
C5Q6 C5Q5 C5Q4 120.0 . . ?
C5Q5 C5Q6 C5Q1 120.0 . . ?
O3Q S1Q O5Q 115.5(3) . . ?
O3Q S1Q O4Q 114.5(3) . . ?
O5Q S1Q O4Q 113.7(3) . . ?
O3Q S1Q C10Q 103.6(3) . . ?
O5Q S1Q C10Q 103.9(3) . . ?
O4Q S1Q C10Q 103.6(4) . . ?
S1Q O3Q Ag1 132.8(3) . . ?
S1Q O4Q Ag5 116.6(3) . . ?
S1Q O5Q Ag2 125.7(3) . . ?
F1Q C10Q F3Q 110.0(7) . . ?
F1Q C10Q F2Q 107.7(7) . . ?
F3Q C10Q F2Q 106.0(6) . . ?
F1Q C10Q S1Q 111.4(5) . . ?
F3Q C10Q S1Q 111.3(5) . . ?
F2Q C10Q S1Q 110.3(5) . . ?
O7Q S2Q O8Q 117.2(4) . . ?
O7Q S2Q O6Q 115.6(4) . . ?
O8Q S2Q O6Q 112.8(3) . . ?
O7Q S2Q C11Q 103.5(5) . . ?
O8Q S2Q C11Q 101.8(5) . . ?
O6Q S2Q C11Q 103.3(4) . . ?
S2Q O6Q Ag2 133.0(3) . . ?
F6Q C11Q F5Q 107.1(10) . . ?
F6Q C11Q F4Q 107.9(8) . . ?
F5Q C11Q F4Q 107.4(9) . . ?
F6Q C11Q S2Q 111.5(7) . . ?
F5Q C11Q S2Q 112.0(7) . . ?
F4Q C11Q S2Q 110.8(8) . . ?
O11Q S3Q O10Q 116.3(5) . . ?
O11Q S3Q O9Q 112.2(6) . . ?
O10Q S3Q O9Q 114.3(6) . . ?
O11Q S3Q C12Q 108.9(5) . . ?
O10Q S3Q C12Q 104.9(5) . . ?
O9Q S3Q C12Q 98.2(6) . . ?
S3Q O11Q Ag1 122.6(4) . . ?
F8Q C12Q F9Q 108.2(10) . . ?
F8Q C12Q F7Q 114.4(10) . . ?
F9Q C12Q F7Q 117.2(10) . . ?
F8Q C12Q S3Q 107.7(7) . . ?
F9Q C12Q S3Q 106.2(7) . . ?
F7Q C12Q S3Q 102.3(7) . . ?
C6R C1R C2R 123.3(5) . . ?
C6R C1R O1R 120.4(6) . . ?
C2R C1R O1R 116.3(5) . . ?
C1R C2R C3R 116.8(5) . . ?
C1R C2R C7Q 120.9(5) . . ?
C3R C2R C7Q 122.3(5) . . ?
C2R C3R C4R 122.8(6) . . ?
C5R C4R C3R 116.2(5) . . ?
C5R C4R C7R 119.8(5) . 2_447 ?
C3R C4R C7R 124.0(5) . 2_447 ?
C4R C5R C6R 123.7(5) . . ?
C4R C5R O3R 119.3(5) . . ?
C6R C5R O3R 116.9(6) . . ?
C1R C6R C5R 117.2(6) . . ?
C4R C7R C2S 111.7(5) 2_447 . ?
C4R C7R C8R 115.8(5) 2_447 . ?
C2S C7R C8R 110.0(5) . . ?
C9R C8R C7R 113.5(5) . . ?
C8R C9R C1R1 111.8(5) . . ?
C1R2 C1R1 C1R6 120.0 . . ?
C1R2 C1R1 C9R 119.4(3) . . ?
C1R6 C1R1 C9R 120.6(3) . . ?
C1R3 C1R2 C1R1 120.0 . . ?
C1R4 C1R3 C1R2 120.0 . . ?
C1R3 C1R4 C1R5 120.0 . . ?
C1R6 C1R5 C1R4 120.0 . . ?
C1R6 C1R5 Ag5 82.9(2) . . ?
C1R4 C1R5 Ag5 100.1(2) . . ?
C1R5 C1R6 C1R1 120.0 . . ?
C1R5 C1R6 Ag5 64.99(19) . . ?
C1R1 C1R6 Ag5 108.36(19) . . ?
O2R C10R O1R 123.0(6) . . ?
O2R C10R C2R1 125.3(6) . . ?
O1R C10R C2R1 111.7(5) . . ?
C2R2 C2R1 C2R6 120.0 . . ?
C2R2 C2R1 C10R 122.5(4) . . ?
C2R6 C2R1 C10R 117.3(3) . . ?
C2R3 C2R2 C2R1 120.0 . . ?
C2R2 C2R3 C2R4 120.0 . . ?
C2R5 C2R4 C2R3 120.0 . . ?
C2R5 C2R4 C11R 119.4(5) . . ?
C2R3 C2R4 C11R 120.5(5) . . ?
C2R4 C2R5 C2R6 120.0 . . ?
C2R5 C2R6 C2R1 120.0 . . ?
O4R C12R O3R 123.0(5) . . ?
O4R C12R C3R1 125.5(5) . . ?
O3R C12R C3R1 111.5(5) . . ?
C3R2 C3R1 C3R6 120.0 . . ?
C3R2 C3R1 C12R 119.0(4) . . ?
C3R6 C3R1 C12R 121.0(4) . . ?
C3R1 C3R2 C3R3 120.0 . . ?
C3R4 C3R3 C3R2 120.0 . . ?
C3R5 C3R4 C3R3 120.0 . . ?
C3R5 C3R4 C13R 118.8(6) . . ?
C3R3 C3R4 C13R 121.2(6) . . ?
C3R6 C3R5 C3R4 120.0 . . ?
C3R5 C3R6 C3R1 120.0 . . ?
O1S C1S C6S 120.3(5) . . ?
O1S C1S C2S 117.5(5) . . ?
C6S C1S C2S 121.9(5) . . ?
C3S C2S C1S 117.5(5) . . ?
C3S C2S C7R 122.9(5) . . ?
C1S C2S C7R 119.6(5) . . ?
C4S C3S C2S 123.3(5) . . ?
C3S C4S C5S 116.8(5) . . ?
C3S C4S C7S 123.1(5) . 2_447 ?
C5S C4S C7S 120.0(5) . 2_447 ?
C6S C5S O2S 120.6(5) . . ?
C6S C5S C4S 122.3(5) . . ?
O2S C5S C4S 117.2(5) . . ?
C5S C6S C1S 118.3(5) . . ?
C2T C7S C4S 111.5(4) . 2_447 ?
C2T C7S C8S 115.1(5) . . ?
C4S C7S C8S 109.2(5) 2_447 . ?
C9S C8S C7S 115.2(5) . . ?
C8S C9S C1S1 114.1(5) . . ?
C1S2 C1S1 C1S6 120.0 . . ?
C1S2 C1S1 C9S 116.8(4) . . ?
C1S6 C1S1 C9S 123.2(4) . . ?
C1S1 C1S2 C1S3 120.0 . . ?
C1S4 C1S3 C1S2 120.0 . . ?
C1S3 C1S4 C1S5 120.0 . . ?
C1S6 C1S5 C1S4 120.0 . . ?
C1S5 C1S6 C1S1 120.0 . . ?
C2S2 C2S1 C2S6 120.0 . . ?
C2S2 C2S1 P3 117.8(3) . . ?
C2S6 C2S1 P3 122.1(3) . . ?
C2S3 C2S2 C2S1 120.0 . . ?
C2S2 C2S3 C2S4 120.0 . . ?
C2S3 C2S4 C2S5 120.0 . . ?
C2S4 C2S5 C2S6 120.0 . . ?
C2S5 C2S6 C2S1 120.0 . . ?
C3S2 C3S1 C3S6 120.0 . . ?
C3S2 C3S1 P3 121.8(4) . . ?
C3S6 C3S1 P3 118.2(4) . . ?
C3S1 C3S2 C3S3 120.0 . . ?
C3S4 C3S3 C3S2 120.0 . . ?
C3S3 C3S4 C3S5 120.0 . . ?
C3S4 C3S5 C3S6 120.0 . . ?
C3S5 C3S6 C3S1 120.0 . . ?
C4S2 C4S1 C4S6 120.0 . . ?
C4S2 C4S1 P4 123.0(3) . . ?
C4S6 C4S1 P4 117.0(3) . . ?
C4S3 C4S2 C4S1 120.0 . . ?
C4S4 C4S3 C4S2 120.0 . . ?
C4S3 C4S4 C4S5 120.0 . . ?
C4S6 C4S5 C4S4 120.0 . . ?
C4S5 C4S6 C4S1 120.0 . . ?
C5S2 C5S1 C5S6 120.0 . . ?
C5S2 C5S1 P4 119.0(3) . . ?
C5S6 C5S1 P4 120.9(3) . . ?
C5S3 C5S2 C5S1 120.0 . . ?
C5S2 C5S3 C5S4 120.0 . . ?
C5S5 C5S4 C5S3 120.0 . . ?
C5S6 C5S5 C5S4 120.0 . . ?
C5S5 C5S6 C5S1 120.0 . . ?
O5S S1S O4S 116.0(4) . . ?
O5S S1S O3S 115.1(3) . . ?
O4S S1S O3S 112.5(3) . . ?
O5S S1S C10S 104.2(4) . . ?
O4S S1S C10S 104.9(4) . . ?
O3S S1S C10S 102.1(4) . . ?
S1S O3S Ag5 132.2(3) . . ?
S1S O3S Ag3 121.9(3) . . ?
Ag5 O3S Ag3 98.68(17) . . ?
S1S O4S Ag4 130.5(3) . . ?
F2S C10S F1S 109.6(8) . . ?
F2S C10S F3S 111.0(8) . . ?
F1S C10S F3S 105.5(7) . . ?
F2S C10S S1S 111.5(6) . . ?
F1S C10S S1S 109.2(6) . . ?
F3S C10S S1S 109.8(6) . . ?
O8S S2S O7S 113.2(12) . . ?
O8S S2S O6S 123.2(12) . . ?
O7S S2S O6S 115.4(12) . . ?
O8S S2S C11S 110.0(10) . . ?
O7S S2S C11S 101.9(9) . . ?
O6S S2S C11S 86.9(10) . . ?
S2S O6S Ag4 118.5(11) . . ?
S2S O8S Ag3 116.5(11) . . ?
F6S C11S F5S 97.7(15) . . ?
F6S C11S F4S 120.4(18) . . ?
F5S C11S F4S 113.1(17) . . ?
F6S C11S S2S 108.9(9) . . ?
F5S C11S S2S 109.2(9) . . ?
F4S C11S S2S 107.1(8) . . ?
C6T C1T O1T 120.8(6) . . ?
C6T C1T C2T 122.4(5) . . ?
O1T C1T C2T 116.7(5) . . ?
C3T C2T C1T 116.9(5) . . ?
C3T C2T C7S 123.3(5) . . ?
C1T C2T C7S 119.8(5) . . ?
C2T C3T C4T 123.1(6) . . ?
C5T C4T C3T 116.4(5) . . ?
C5T C4T C7T 119.2(5) . . ?
C3T C4T C7T 124.4(5) . . ?
C4T C5T C6T 123.4(5) . . ?
C4T C5T O3T 118.6(5) . . ?
C6T C5T O3T 117.8(6) . . ?
C1T C6T C5T 117.8(6) . . ?
C4Q C7T C4T 111.3(5) . . ?
C4Q C7T C8T 111.1(5) . . ?
C4T C7T C8T 114.8(5) . . ?
C7T C8T C9T 111.2(5) . . ?
C1T1 C9T C8T 112.7(5) . . ?
C1T2 C1T1 C1T6 120.0 . . ?
C1T2 C1T1 C9T 120.9(4) . . ?
C1T6 C1T1 C9T 119.1(4) . . ?
C1T1 C1T2 C1T3 120.0 . . ?
C1T2 C1T3 C1T4 120.0 . . ?
C1T5 C1T4 C1T3 120.0 . . ?
C1T4 C1T5 C1T6 120.0 . . ?
C1T5 C1T6 C1T1 120.0 . . ?
O2T C10T O1T 123.6(6) . . ?
O2T C10T C2T1 124.9(6) . . ?
O1T C10T C2T1 111.6(5) . . ?
C2T2 C2T1 C2T6 120.0 . . ?
C2T2 C2T1 C10T 117.0(3) . . ?
C2T6 C2T1 C10T 122.8(3) . . ?
C2T1 C2T2 C2T3 120.0 . . ?
C2T4 C2T3 C2T2 120.0 . . ?
C2T3 C2T4 C2T5 120.0 . . ?
C2T3 C2T4 C11T 119.1(5) . . ?
C2T5 C2T4 C11T 120.8(5) . . ?
C2T6 C2T5 C2T4 120.0 . . ?
C2T5 C2T6 C2T1 120.0 . . ?
O4T C12T O3T 123.2(6) . . ?
O4T C12T C3T1 126.0(5) . . ?
O3T C12T C3T1 110.8(5) . . ?
C3T2 C3T1 C3T6 120.0 . . ?
C3T2 C3T1 C12T 118.4(4) . . ?
C3T6 C3T1 C12T 121.6(4) . . ?
C3T1 C3T2 C3T3 120.0 . . ?
C3T4 C3T3 C3T2 120.0 . . ?
C3T3 C3T4 C3T5 120.0 . . ?
C3T3 C3T4 C13T 122.0(6) . . ?
C3T5 C3T4 C13T 118.0(6) . . ?
C3T6 C3T5 C3T4 120.0 . . ?
C3T5 C3T6 C3T1 120.0 . . ?
Ag5 O300 Ag3 99.03(17) . . ?
Cl10 C100 Cl11 118(2) . . ?
Cl41 C400 Cl40 119(3) . . ?
Cl20 C200 Cl21 120(2) . . ?
Cl31 C300 Cl30 119(3) . . ?
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
Ag1 O200 2.283(7) . ?
Ag1 P1 2.3425(18) . ?
Ag1 O3Q 2.446(5) . ?
Ag1 O11Q 2.592(6) . ?
Ag2 O6Q 2.344(5) . ?
Ag2 P2 2.3516(17) . ?
Ag2 O5Q 2.371(4) . ?
Ag3 P3 2.3449(18) . ?
Ag3 O8S 2.437(19) . ?
Ag3 O300 2.442(5) . ?
Ag3 O3S 2.467(5) . ?
Ag4 O100 2.293(9) . ?
Ag4 P4 2.338(2) . ?
Ag4 O6S 2.48(2) . ?
Ag4 O4S 2.518(6) . ?
Ag5 O4Q 2.352(5) . ?
Ag5 C1R5 2.369(5) . ?
Ag5 O3S 2.427(5) . ?
Ag5 O300 2.440(5) . ?
Ag5 C1R6 2.594(5) . ?
P1 O1Q 1.641(4) . ?
P1 C3Q1 1.796(4) . ?
P1 C2Q1 1.808(4) . ?
P2 O2Q 1.630(4) . ?
P2 C5Q1 1.797(4) . ?
P2 C4Q1 1.808(3) . ?
P3 O1S 1.630(4) . ?
P3 C3S1 1.791(4) . ?
P3 C2S1 1.811(3) . ?
P4 O2S 1.637(4) . ?
P4 C5S1 1.792(5) . ?
P4 C4S1 1.810(4) . ?
O1Q C1Q 1.403(7) . ?
O2Q C5Q 1.404(6) . ?
O1R C10R 1.364(8) . ?
O1R C1R 1.408(7) . ?
O2R C10R 1.203(8) . ?
O3R C12R 1.348(7) . ?
O3R C5R 1.412(7) . ?
O4R C12R 1.206(8) . ?
O1S C1S 1.388(7) . ?
O2S C5S 1.402(7) . ?
O1T C10T 1.354(8) . ?
O1T C1T 1.397(7) . ?
O2T C10T 1.184(8) . ?
O3T C12T 1.363(7) . ?
O3T C5T 1.412(7) . ?
O4T C12T 1.193(8) . ?
C1Q C6Q 1.381(8) . ?
C1Q C2Q 1.385(8) . ?
C2Q C3Q 1.393(8) . ?
C2Q C7Q 1.536(7) . ?
C3Q C4Q 1.400(8) . ?
C4Q C5Q 1.386(8) . ?
C4Q C7T 1.522(8) . ?
C5Q C6Q 1.386(8) . ?
C7Q C2R 1.517(8) . ?
C7Q C8Q 1.526(9) . ?
C8Q C9Q 1.528(8) . ?
C9Q C1Q1 1.533(8) . ?
C1Q1 C1Q2 1.3900 . ?
C1Q1 C1Q6 1.3900 . ?
C1Q2 C1Q3 1.3900 . ?
C1Q3 C1Q4 1.3900 . ?
C1Q4 C1Q5 1.3900 . ?
C1Q5 C1Q6 1.3900 . ?
C2Q1 C2Q2 1.3900 . ?
C2Q1 C2Q6 1.3900 . ?
C2Q2 C2Q3 1.3900 . ?
C2Q3 C2Q4 1.3900 . ?
C2Q4 C2Q5 1.3900 . ?
C2Q5 C2Q6 1.3900 . ?
C3Q1 C3Q2 1.3900 . ?
C3Q1 C3Q6 1.3900 . ?
C3Q2 C3Q3 1.3900 . ?
C3Q3 C3Q4 1.3900 . ?
C3Q4 C3Q5 1.3900 . ?
C3Q5 C3Q6 1.3900 . ?
C4Q1 C4Q2 1.3900 . ?
C4Q1 C4Q6 1.3900 . ?
C4Q2 C4Q3 1.3900 . ?
C4Q3 C4Q4 1.3900 . ?
C4Q4 C4Q5 1.3900 . ?
C4Q5 C4Q6 1.3900 . ?
C5Q1 C5Q2 1.3900 . ?
C5Q1 C5Q6 1.3900 . ?
C5Q2 C5Q3 1.3900 . ?
C5Q3 C5Q4 1.3900 . ?
C5Q4 C5Q5 1.3900 . ?
C5Q5 C5Q6 1.3900 . ?
S1Q O3Q 1.433(5) . ?
S1Q O5Q 1.435(5) . ?
S1Q O4Q 1.445(5) . ?
S1Q C10Q 1.827(7) . ?
C10Q F1Q 1.301(9) . ?
C10Q F3Q 1.316(10) . ?
C10Q F2Q 1.320(8) . ?
S2Q O7Q 1.410(7) . ?
S2Q O8Q 1.442(6) . ?
S2Q O6Q 1.445(5) . ?
S2Q C11Q 1.816(10) . ?
C11Q F6Q 1.310(10) . ?
C11Q F5Q 1.317(13) . ?
C11Q F4Q 1.338(12) . ?
S3Q O11Q 1.400(6) . ?
S3Q O10Q 1.471(8) . ?
S3Q O9Q 1.530(8) . ?
S3Q C12Q 1.817(5) . ?
C12Q F8Q 1.305(10) . ?
C12Q F9Q 1.327(11) . ?
C12Q F7Q 1.349(11) . ?
C1R C6R 1.377(8) . ?
C1R C2R 1.383(9) . ?
C2R C3R 1.402(8) . ?
C3R C4R 1.404(8) . ?
C4R C5R 1.380(9) . ?
C4R C7R 1.509(8) 2_447 ?
C5R C6R 1.390(8) . ?
C7R C4R 1.509(8) 2_447 ?
C7R C2S 1.529(8) . ?
C7R C8R 1.540(9) . ?
C8R C9R 1.521(8) . ?
C9R C1R1 1.539(7) . ?
C1R1 C1R2 1.3900 . ?
C1R1 C1R6 1.3900 . ?
C1R2 C1R3 1.3900 . ?
C1R3 C1R4 1.3900 . ?
C1R4 C1R5 1.3900 . ?
C1R5 C1R6 1.3900 . ?
C10R C2R1 1.485(7) . ?
C2R1 C2R2 1.3900 . ?
C2R1 C2R6 1.3900 . ?
C2R2 C2R3 1.3900 . ?
C2R3 C2R4 1.3900 . ?
C2R4 C2R5 1.3900 . ?
C2R4 C11R 1.530(8) . ?
C2R5 C2R6 1.3900 . ?
C12R C3R1 1.488(7) . ?
C3R1 C3R2 1.3900 . ?
C3R1 C3R6 1.3900 . ?
C3R2 C3R3 1.3900 . ?
C3R3 C3R4 1.3900 . ?
C3R4 C3R5 1.3900 . ?
C3R4 C13R 1.528(10) . ?
C3R5 C3R6 1.3900 . ?
C1S C6S 1.389(8) . ?
C1S C2S 1.389(8) . ?
C2S C3S 1.387(8) . ?
C3S C4S 1.382(8) . ?
C4S C5S 1.404(8) . ?
C4S C7S 1.521(7) 2_447 ?
C5S C6S 1.379(8) . ?
C7S C2T 1.518(8) . ?
C7S C4S 1.521(7) 2_447 ?
C7S C8S 1.536(9) . ?
C8S C9S 1.515(8) . ?
C9S C1S1 1.518(8) . ?
C1S1 C1S2 1.3900 . ?
C1S1 C1S6 1.3900 . ?
C1S2 C1S3 1.3900 . ?
C1S3 C1S4 1.3900 . ?
C1S4 C1S5 1.3900 . ?
C1S5 C1S6 1.3900 . ?
C2S1 C2S2 1.3900 . ?
C2S1 C2S6 1.3900 . ?
C2S2 C2S3 1.3900 . ?
C2S3 C2S4 1.3900 . ?
C2S4 C2S5 1.3900 . ?
C2S5 C2S6 1.3900 . ?
C3S1 C3S2 1.3900 . ?
C3S1 C3S6 1.3900 . ?
C3S2 C3S3 1.3900 . ?
C3S3 C3S4 1.3900 . ?
C3S4 C3S5 1.3900 . ?
C3S5 C3S6 1.3900 . ?
C4S1 C4S2 1.3900 . ?
C4S1 C4S6 1.3900 . ?
C4S2 C4S3 1.3900 . ?
C4S3 C4S4 1.3900 . ?
C4S4 C4S5 1.3900 . ?
C4S5 C4S6 1.3900 . ?
C5S1 C5S2 1.3900 . ?
C5S1 C5S6 1.3900 . ?
C5S2 C5S3 1.3900 . ?
C5S3 C5S4 1.3900 . ?
C5S4 C5S5 1.3900 . ?
C5S5 C5S6 1.3900 . ?
S1S O5S 1.427(6) . ?
S1S O4S 1.440(5) . ?
S1S O3S 1.460(5) . ?
S1S C10S 1.846(8) . ?
C10S F2S 1.272(10) . ?
C10S F1S 1.322(10) . ?
C10S F3S 1.326(10) . ?
S2S O8S 1.495(13) . ?
S2S O7S 1.506(12) . ?
S2S O6S 1.514(13) . ?
S2S C11S 1.829(5) . ?
C11S F6S 1.335(13) . ?
C11S F5S 1.340(13) . ?
C11S F4S 1.340(13) . ?
C1T C6T 1.378(8) . ?
C1T C2T 1.398(8) . ?
C2T C3T 1.391(8) . ?
C3T C4T 1.401(8) . ?
C4T C5T 1.381(9) . ?
C4T C7T 1.531(8) . ?
C5T C6T 1.385(9) . ?
C7T C8T 1.543(9) . ?
C8T C9T 1.545(8) . ?
C9T C1T1 1.530(8) . ?
C1T1 C1T2 1.3900 . ?
C1T1 C1T6 1.3900 . ?
C1T2 C1T3 1.3900 . ?
C1T3 C1T4 1.3900 . ?
C1T4 C1T5 1.3900 . ?
C1T5 C1T6 1.3900 . ?
C10T C2T1 1.492(7) . ?
C2T1 C2T2 1.3900 . ?
C2T1 C2T6 1.3900 . ?
C2T2 C2T3 1.3900 . ?
C2T3 C2T4 1.3900 . ?
C2T4 C2T5 1.3900 . ?
C2T4 C11T 1.529(8) . ?
C2T5 C2T6 1.3900 . ?
C12T C3T1 1.486(7) . ?
C3T1 C3T2 1.3900 . ?
C3T1 C3T6 1.3900 . ?
C3T2 C3T3 1.3900 . ?
C3T3 C3T4 1.3900 . ?
C3T4 C3T5 1.3900 . ?
C3T4 C13T 1.535(10) . ?
C3T5 C3T6 1.3900 . ?
Cl11 C100 1.62(2) . ?
Cl10 C100 1.62(2) . ?
Cl41 C400 1.61(2) . ?
Cl40 C400 1.62(2) . ?
C200 Cl20 1.61(2) . ?
C200 Cl21 1.62(2) . ?
Cl31 C300 1.61(2) . ?
Cl30 C300 1.62(2) . ?
Cl32 C301 1.61(2) . ?
