#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:12:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180065 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/11/7051145.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_7051145
loop_
_publ_author_name
'Lahtinen, Tanja'
'Wegelius, Elina'
'Rissanen, Kari'
_publ_section_title
;
 Synthesis and X-ray structures of new concave π-prismand hydrocarbon
 [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes
;
_journal_issue                   7
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              905
_journal_paper_doi               10.1039/b102725p
_journal_volume                  25
_journal_year                    2001
_chemical_formula_sum            'C99 H88 Ag4 F12 O13 S4'
_chemical_formula_weight         2273.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.3120(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8557(3)
_cell_length_b                   55.1676(18)
_cell_length_c                   15.8584(4)
_cell_measurement_temperature    173.0(1)
_cell_volume                     9497.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.0(1)
_diffrn_measured_fraction_theta_full 0.499
_diffrn_measured_fraction_theta_max 0.499
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       65
_diffrn_reflns_limit_k_min       -64
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22844
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.986
_exptl_absorpt_correction_T_max  0.8662
_exptl_absorpt_correction_T_min  0.6939
_exptl_absorpt_correction_type   'SORTAV, not used'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4584
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.598
_refine_diff_density_min         -1.310
_refine_diff_density_rms         0.114
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     928
_refine_ls_number_reflns         15280
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0866P)²+63.7899P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1617
_reflns_number_gt                13818
_reflns_number_total             15280
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b102725p.txt
_cod_data_source_block           18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0866P)^2^+63.7899P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0866P)^2^+63.7899P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7051145
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9501(10) 1.0508(2) 0.5434(6) 0.059(3) Uani 1 d . . .
H1A H 0.9636 1.0685 0.5434 0.070 Uiso 1 calc R . .
H1B H 0.9526 1.0448 0.6023 0.070 Uiso 1 calc R . .
C2 C 1.0458(9) 1.0379(2) 0.4898(5) 0.053(3) Uani 1 d . . .
C3 C 1.0680(9) 1.01430(18) 0.5004(5) 0.046(2) Uani 1 d . . .
H3 H 1.0410 1.0066 0.5505 0.056 Uiso 1 calc R . .
C4 C 1.1316(9) 1.00026(19) 0.4378(6) 0.049(2) Uani 1 d . . .
H4 H 1.1457 0.9834 0.4465 0.058 Uiso 1 calc R . .
C5 C 1.1725(9) 1.01154(19) 0.3640(5) 0.048(2) Uani 1 d . . .
C6 C 1.1526(9) 1.0363(2) 0.3567(6) 0.060(3) Uani 1 d . . .
H6 H 1.1828 1.0445 0.3086 0.072 Uiso 1 calc R . .
C7 C 1.0883(9) 1.04957(19) 0.4190(5) 0.049(2) Uani 1 d . . .
H7 H 1.0746 1.0665 0.4119 0.059 Uiso 1 calc R . .
C8 C 1.2187(9) 0.9977(2) 0.2916(6) 0.059(3) Uani 1 d . . .
H8A H 1.2283 0.9805 0.3084 0.070 Uiso 1 calc R . .
H8B H 1.3011 1.0039 0.2763 0.070 Uiso 1 calc R . .
C9 C 1.1349(8) 0.9989(2) 0.2141(6) 0.053(2) Uani 1 d . . .
H9A H 1.1599 0.9860 0.1743 0.063 Uiso 1 calc R . .
H9B H 1.1485 1.0147 0.1858 0.063 Uiso 1 calc R . .
C10 C 0.9971(8) 0.99623(17) 0.2313(5) 0.0400(19) Uani 1 d . . .
C11 C 0.9505(8) 0.97643(16) 0.2760(5) 0.043(2) Uani 1 d . . .
H11 H 1.0040 0.9640 0.2955 0.051 Uiso 1 calc R . .
C12 C 0.8238(8) 0.97519(15) 0.2918(5) 0.0398(19) Uani 1 d . . .
H12 H 0.7925 0.9615 0.3212 0.048 Uiso 1 calc R . .
C13 C 0.7417(8) 0.99323(17) 0.2661(6) 0.045(2) Uani 1 d . . .
C14 C 0.7898(8) 1.01211(18) 0.2224(5) 0.045(2) Uani 1 d . . .
H14 H 0.7366 1.0247 0.2033 0.053 Uiso 1 calc R . .
C15 C 0.9155(7) 1.01358(17) 0.2048(5) 0.0369(18) Uani 1 d . . .
H15 H 0.9452 1.0270 0.1735 0.044 Uiso 1 calc R . .
C16 C 0.6066(9) 0.9917(2) 0.2911(7) 0.057(3) Uani 1 d . . .
H16A H 0.5576 0.9876 0.2402 0.068 Uiso 1 calc R . .
H16B H 0.5971 0.9782 0.3315 0.068 Uiso 1 calc R . .
C17 C 0.5527(8) 1.0144(2) 0.3303(6) 0.052(2) Uani 1 d . . .
H17A H 0.5346 1.0263 0.2854 0.063 Uiso 1 calc R . .
H17B H 0.4743 1.0103 0.3585 0.063 Uiso 1 calc R . .
C18 C 0.6398(8) 1.0252(2) 0.3931(6) 0.051(2) Uani 1 d . . .
C19 C 0.6766(9) 1.01319(18) 0.4657(6) 0.050(2) Uani 1 d . . .
H19 H 0.6368 0.9984 0.4799 0.060 Uiso 1 calc R . .
C20 C 0.7710(9) 1.02195(18) 0.5196(5) 0.051(2) Uani 1 d . . .
H20 H 0.7963 1.0129 0.5676 0.061 Uiso 1 calc R . .
C21 C 0.8263(10) 1.04427(18) 0.5006(5) 0.050(2) Uani 1 d . . .
C22 C 0.7840(9) 1.05751(17) 0.4338(5) 0.048(2) Uani 1 d . . .
H22 H 0.8176 1.0731 0.4236 0.058 Uiso 1 calc R . .
C23 C 0.6912(9) 1.04847(17) 0.3795(6) 0.049(2) Uani 1 d . . .
H23 H 0.6631 1.0581 0.3336 0.058 Uiso 1 calc R . .
C1B C 1.0525(17) 0.8148(3) 0.5713(13) 0.117(4) Uani 1 d . . .
H1B1 H 1.0485 0.8116 0.5100 0.140 Uiso 1 calc R . .
H1B2 H 1.0409 0.7994 0.6022 0.140 Uiso 1 calc R . .
C2B C 1.1739(14) 0.8268(2) 0.5957(9) 0.080(4) Uani 1 d . . .
C3B C 1.2298(14) 0.8435(2) 0.5405(9) 0.079(4) Uani 1 d . . .
H3B H 1.2062 0.8444 0.4828 0.095 Uiso 1 calc R . .
C4B C 1.3204(12) 0.8587(3) 0.5732(8) 0.078(4) Uani 1 d . . .
H4B H 1.3548 0.8706 0.5366 0.094 Uiso 1 calc R . .
C5B C 1.3637(10) 0.8578(2) 0.6548(9) 0.073(4) Uani 1 d . . .
C6B C 1.3141(11) 0.8403(3) 0.7080(9) 0.090(5) Uani 1 d . . .
H6B H 1.3404 0.8389 0.7650 0.108 Uiso 1 calc R . .
C7B C 1.2238(14) 0.8246(2) 0.6745(10) 0.086(4) Uani 1 d . . .
H7B H 1.1958 0.8116 0.7090 0.103 Uiso 1 calc R . .
C8B C 1.4478(11) 0.8774(3) 0.6924(11) 0.098(5) Uani 1 d . . .
H8B1 H 1.4719 0.8889 0.6475 0.117 Uiso 1 calc R . .
H8B2 H 1.5236 0.8697 0.7149 0.117 Uiso 1 calc R . .
C9B C 1.3818(12) 0.8916(3) 0.7649(10) 0.092(4) Uani 1 d . . .
H9B1 H 1.3823 0.8813 0.8160 0.110 Uiso 1 calc R . .
H9B2 H 1.4308 0.9063 0.7779 0.110 Uiso 1 calc R . .
C10B C 1.2531(10) 0.8991(2) 0.7472(7) 0.066(3) Uani 1 d . . .
C11B C 1.2211(9) 0.91224(19) 0.6757(6) 0.053(2) Uani 1 d . . .
H11B H 1.2837 0.9170 0.6374 0.063 Uiso 1 calc R . .
C12B C 1.0984(9) 0.91872(17) 0.6586(6) 0.050(2) Uani 1 d . . .
H12B H 1.0798 0.9282 0.6101 0.060 Uiso 1 calc R . .
C13B C 1.0012(8) 0.91132(16) 0.7132(5) 0.044(2) Uani 1 d . . .
C14B C 1.0303(10) 0.89780(18) 0.7828(6) 0.055(3) Uani 1 d . . .
H14B H 0.9672 0.8918 0.8183 0.066 Uiso 1 calc R . .
C15B C 1.1554(12) 0.8929(2) 0.8012(6) 0.063(3) Uani 1 d . . .
H15B H 1.1746 0.8849 0.8528 0.075 Uiso 1 calc R . .
C16B C 0.8700(11) 0.91759(19) 0.6939(8) 0.065(3) Uani 1 d . . .
H16C H 0.8653 0.9241 0.6358 0.078 Uiso 1 calc R . .
H16D H 0.8437 0.9306 0.7327 0.078 Uiso 1 calc R . .
C17B C 0.7797(12) 0.8965(2) 0.7012(9) 0.080(4) Uani 1 d . . .
H17C H 0.7639 0.8932 0.7616 0.096 Uiso 1 calc R . .
H17D H 0.7005 0.9011 0.6745 0.096 Uiso 1 calc R . .
C18B C 0.8271(9) 0.8738(2) 0.6602(8) 0.063(3) Uani 1 d . . .
C19B C 0.8615(10) 0.8733(2) 0.5776(8) 0.059(3) Uani 1 d . . .
H19B H 0.8445 0.8868 0.5422 0.071 Uiso 1 calc R . .
C20B C 0.9228(13) 0.8526(3) 0.5440(7) 0.083(5) Uani 1 d . . .
H20B H 0.9403 0.8518 0.4854 0.099 Uiso 1 calc R . .
C21B C 0.9574(11) 0.8334(2) 0.5969(8) 0.067(3) Uani 1 d . . .
C22B C 0.9168(10) 0.8339(2) 0.6801(7) 0.064(3) Uani 1 d . . .
H22B H 0.9325 0.8206 0.7165 0.077 Uiso 1 calc R . .
C23B C 0.8539(10) 0.85379(19) 0.7096(7) 0.059(3) Uani 1 d . . .
H23B H 0.8274 0.8538 0.7666 0.070 Uiso 1 calc R . .
C1C C 0.6844(18) 0.7137(3) 0.5042(12) 0.117(4) Uani 1 d D . .
H1C1 H 0.6406 0.7005 0.5339 0.140 Uiso 1 calc R . .
H1C2 H 0.7733 0.7096 0.5046 0.140 Uiso 1 calc R . .
C2C C 0.666(2) 0.7373(5) 0.5532(12) 0.166 Uani 1 d D . .
C3C C 0.768(2) 0.7542(6) 0.5291(13) 0.166 Uani 1 d . . .
H3C H 0.8381 0.7492 0.4979 0.200 Uiso 1 calc R . .
C4C C 0.751(2) 0.7754(6) 0.5541(12) 0.166 Uani 1 d . . .
H4C H 0.8155 0.7867 0.5454 0.200 Uiso 1 calc R . .
C5C C 0.636(2) 0.7842(5) 0.5973(12) 0.166 Uani 1 d D . .
C6C C 0.540(2) 0.7691(6) 0.6087(12) 0.166 Uani 1 d . . .
H6C H 0.4600 0.7741 0.6258 0.200 Uiso 1 calc R . .
C7C C 0.574(2) 0.7442(7) 0.5917(12) 0.166 Uani 1 d . . .
H7C H 0.5202 0.7320 0.6121 0.200 Uiso 1 calc R . .
C8C C 0.599(2) 0.8117(5) 0.5916(11) 0.166 Uani 1 d D . .
H8C1 H 0.5131 0.8130 0.6119 0.200 Uiso 1 calc R . .
H8C2 H 0.6512 0.8204 0.6328 0.200 Uiso 1 calc R . .
C9C C 0.605(2) 0.8263(5) 0.5061(10) 0.166 Uani 1 d D . .
H9C1 H 0.5615 0.8419 0.5122 0.200 Uiso 1 calc R . .
H9C2 H 0.6924 0.8298 0.4923 0.200 Uiso 1 calc R . .
C10C C 0.5478(12) 0.8119(3) 0.4365(12) 0.097 Uani 1 d D . .
C11C C 0.6054(13) 0.8086(3) 0.3617(12) 0.097 Uani 1 d . . .
H11C H 0.6829 0.8163 0.3545 0.116 Uiso 1 calc R . .
C12C C 0.5641(13) 0.7960(3) 0.3004(13) 0.097 Uani 1 d . . .
H12C H 0.6153 0.7937 0.2526 0.116 Uiso 1 calc R . .
C13C C 0.4429(13) 0.7851(3) 0.3000(13) 0.097 Uani 1 d . . .
C14C C 0.3836(13) 0.7896(3) 0.3795(12) 0.097 Uani 1 d . . .
H14C H 0.3048 0.7824 0.3867 0.116 Uiso 1 calc R . .
C15C C 0.4253(12) 0.8025(3) 0.4437(12) 0.097 Uani 1 d . . .
H15C H 0.3764 0.8055 0.4922 0.116 Uiso 1 calc R . .
C16C C 0.3944(13) 0.7704(3) 0.2331(12) 0.097 Uani 1 d . . .
H16E H 0.3158 0.7632 0.2524 0.116 Uiso 1 calc R . .
H16F H 0.3751 0.7811 0.1847 0.116 Uiso 1 calc R . .
C17C C 0.4713(13) 0.7513(3) 0.2041(12) 0.097 Uani 1 d . . .
H17E H 0.5369 0.7584 0.1688 0.116 Uiso 1 calc R . .
H17F H 0.4214 0.7406 0.1674 0.116 Uiso 1 calc R . .
C18C C 0.531(2) 0.7360(3) 0.2712(17) 0.139 Uani 1 d . . .
C19C C 0.663(2) 0.7340(3) 0.2871(18) 0.139 Uani 1 d . . .
H19C H 0.7199 0.7398 0.2463 0.167 Uiso 1 calc R . .
C20C C 0.702(2) 0.7248(3) 0.3541(17) 0.139 Uani 1 d . . .
H20C H 0.7887 0.7256 0.3634 0.167 Uiso 1 calc R . .
C21C C 0.639(2) 0.7144(3) 0.4115(14) 0.139 Uani 1 d D . .
C22C C 0.503(2) 0.7150(3) 0.3965(17) 0.139 Uani 1 d . . .
H22C H 0.4482 0.7081 0.4366 0.167 Uiso 1 calc R . .
C23C C 0.458(2) 0.7253(3) 0.3270(17) 0.139 Uani 1 d . . .
H23C H 0.3714 0.7250 0.3168 0.167 Uiso 1 calc R . .
C1D C 0.389(2) 1.1637(3) 0.6004(11) 0.133(8) Uani 1 d D . .
H1D1 H 0.3089 1.1718 0.6108 0.159 Uiso 1 calc R . .
H1D2 H 0.4432 1.1751 0.5699 0.159 Uiso 1 calc R . .
C2D C 0.3700(12) 1.1399(4) 0.5484(10) 0.107 Uani 1 d D . .
C3D C 0.4775(12) 1.1284(4) 0.5040(10) 0.107 Uani 1 d . . .
H3D H 0.5479 1.1378 0.4907 0.129 Uiso 1 calc R . .
C4D C 0.4745(12) 1.1074(4) 0.4853(10) 0.107 Uani 1 d . . .
H4D H 0.5419 1.1014 0.4535 0.129 Uiso 1 calc R . .
C5D C 0.3798(12) 1.0900(4) 0.5060(10) 0.107 Uani 1 d . . .
C6D C 0.2761(12) 1.1010(4) 0.5407(10) 0.107 Uani 1 d . . .
H6D H 0.2050 1.0913 0.5497 0.129 Uiso 1 calc R . .
C7D C 0.2712(12) 1.1244(4) 0.5620(10) 0.107 Uani 1 d . . .
H7D H 0.1984 1.1305 0.5871 0.129 Uiso 1 calc R . .
C8D C 0.3933(12) 1.0660(4) 0.4864(10) 0.107 Uani 1 d . . .
H8D1 H 0.4767 1.0630 0.4639 0.129 Uiso 1 calc R . .
H8D2 H 0.3319 1.0612 0.4432 0.129 Uiso 1 calc R . .
C9D C 0.3736(16) 1.0513(3) 0.5687(13) 0.115(6) Uani 1 d . . .
H9D1 H 0.2853 1.0524 0.5834 0.138 Uiso 1 calc R . .
H9D2 H 0.3915 1.0341 0.5562 0.138 Uiso 1 calc R . .
C10D C 0.4486(6) 1.05845(13) 0.6468(5) 0.074(4) Uani 1 d G . .
C11D C 0.5737(6) 1.06338(13) 0.6397(4) 0.064(3) Uani 1 d G . .
H11D H 0.6147 1.0605 0.5879 0.077 Uiso 1 calc R . .
C12D C 0.6388(4) 1.07253(13) 0.7084(5) 0.066(3) Uani 1 d G . .
H12D H 0.7243 1.0759 0.7035 0.079 Uiso 1 calc R . .
C13D C 0.5788(6) 1.07674(14) 0.7842(4) 0.065(3) Uani 1 d G . .
C14D C 0.4537(6) 1.07181(14) 0.7913(4) 0.078(4) Uani 1 d G . .
H14D H 0.4127 1.0747 0.8431 0.093 Uiso 1 calc R . .
C15D C 0.3886(4) 1.06266(13) 0.7226(6) 0.075(4) Uani 1 d G . .
H15D H 0.3031 1.0593 0.7275 0.090 Uiso 1 calc R . .
C16D C 0.6474(13) 1.0886(3) 0.8558(8) 0.093(5) Uani 1 d D . .
H16G H 0.7325 1.0920 0.8369 0.111 Uiso 1 calc R . .
H16H H 0.6529 1.0770 0.9030 0.111 Uiso 1 calc R . .
C17D C 0.5908(13) 1.1126(3) 0.8896(7) 0.092(5) Uani 1 d D . .
H17G H 0.5220 1.1086 0.9278 0.110 Uiso 1 calc R . .
H17H H 0.6541 1.1212 0.9234 0.110 Uiso 1 calc R . .
C18D C 0.5437(7) 1.12953(14) 0.8221(4) 0.073(3) Uani 1 d G . .
C19D C 0.6226(5) 1.13791(14) 0.7598(5) 0.066(3) Uani 1 d G . .
H19D H 0.7084 1.1347 0.7637 0.079 Uiso 1 calc R . .
C20D C 0.5760(8) 1.15099(13) 0.6919(4) 0.070(3) Uani 1 d G . .
H20D H 0.6299 1.1567 0.6493 0.084 Uiso 1 calc R . .
C21D C 0.4504(8) 1.15568(13) 0.6862(5) 0.086(4) Uani 1 d G . .
C22D C 0.3715(6) 1.14730(15) 0.7484(6) 0.078(4) Uani 1 d G . .
H22D H 0.2857 1.1505 0.7445 0.094 Uiso 1 calc R . .
C23D C 0.4181(6) 1.13423(14) 0.8164(5) 0.068(3) Uani 1 d G . .
H23D H 0.3642 1.1285 0.8589 0.081 Uiso 1 calc R . .
Ag1 Ag 0.89381(6) 0.994069(12) 0.42324(4) 0.04135(16) Uani 1 d . . .
O10 O 0.8841(6) 0.95890(11) 0.5096(3) 0.0432(14) Uani 1 d . . .
S1 S 0.5307(2) 0.94455(5) 0.57917(15) 0.0493(5) Uani 1 d . . .
O1 O 0.6368(7) 0.95433(16) 0.5366(7) 0.086(3) Uani 1 d . . .
O2 O 0.5370(10) 0.94309(17) 0.6688(5) 0.092(3) Uani 1 d . . .
O3 O 0.4810(8) 0.92330(14) 0.5396(5) 0.071(2) Uani 1 d . . .
C24 C 0.4145(10) 0.9675(2) 0.5552(9) 0.075(4) Uani 1 d . . .
F1 F 0.4517(11) 0.98862(15) 0.5952(8) 0.132(4) Uani 1 d . . .
F2 F 0.3057(7) 0.96129(17) 0.5833(7) 0.118(4) Uani 1 d . . .
F3 F 0.4081(7) 0.97200(19) 0.4767(6) 0.115(4) Uani 1 d . . .
Ag2 Ag 1.10684(6) 0.881710(13) 0.57643(4) 0.04590(17) Uani 1 d . . .
S1B S 1.0849(2) 0.91259(4) 0.39363(14) 0.0441(5) Uani 1 d . . .
O1B O 1.1602(8) 0.89411(14) 0.4331(4) 0.065(2) Uani 1 d . . .
O2B O 0.9690(7) 0.91683(14) 0.4362(5) 0.071(2) Uani 1 d . . .
O3B O 1.1486(6) 0.93391(13) 0.3691(5) 0.0620(18) Uani 1 d . . .
C24B C 1.0412(10) 0.8986(2) 0.2948(7) 0.059(3) Uani 1 d . . .
F1B F 0.9743(9) 0.87922(14) 0.3078(6) 0.103(3) Uani 1 d . . .
F2B F 0.9681(7) 0.91403(14) 0.2503(4) 0.084(2) Uani 1 d . . .
F3B F 1.1352(7) 0.89333(18) 0.2490(4) 0.097(3) Uani 1 d . . .
Ag3 Ag 0.69827(7) 0.769236(14) 0.39140(5) 0.05369(19) Uani 1 d . . .
S1C S 0.9700(3) 0.78225(6) 0.3147(2) 0.0748(9) Uani 1 d . . .
O1C O 0.9166(9) 0.7853(2) 0.3959(6) 0.0978(15) Uani 1 d . . .
O2C O 1.0817(10) 0.7694(2) 0.3120(10) 0.126(4) Uani 1 d . . .
O3C O 0.8820(9) 0.7750(2) 0.2509(8) 0.117(4) Uani 1 d . . .
C24C C 1.010(2) 0.8122(6) 0.278(2) 0.167(8) Uani 1 d . . .
F1C F 1.0889(12) 0.8227(2) 0.3370(10) 0.1519(18) Uani 1 d . . .
F2C F 1.0714(12) 0.8116(2) 0.2082(9) 0.1519(18) Uani 1 d . . .
F3C F 0.9156(12) 0.8260(2) 0.2778(9) 0.1519(18) Uani 1 d . . .
Ag4 Ag 0.58824(6) 1.109192(14) 0.62709(4) 0.04997(18) Uani 1 d . . .
S1D S 0.8464(5) 1.12381(8) 0.5041(2) 0.1150(19) Uani 1 d D . .
O1D O 0.7957(10) 1.1158(2) 0.5774(6) 0.0978(15) Uani 1 d . . .
O2D O 0.9844(10) 1.1116(2) 0.4890(7) 0.0978(15) Uani 1 d . . .
O3D O 0.7728(9) 1.1229(2) 0.4285(6) 0.0978(15) Uani 1 d . . .
C24D C 0.9074(14) 1.1536(3) 0.5119(13) 0.167(8) Uani 1 d D . .
F1D F 0.9938(12) 1.1533(2) 0.5709(9) 0.1519(18) Uani 1 d D . .
F2D F 0.9774(13) 1.1561(2) 0.4432(9) 0.1519(18) Uani 1 d D . .
F3D F 0.8005(11) 1.1650(2) 0.5320(9) 0.1519(18) Uani 1 d D . .
C50 C 0.623(2) 1.1807(5) 0.3419(17) 0.077(7) Uiso 0.50 d P . .
C51 C 0.573(3) 1.2032(6) 0.3323(19) 0.088(8) Uiso 0.50 d P . .
C52 C 0.634(3) 1.2242(6) 0.3216(19) 0.089(8) Uiso 0.50 d P . .
C53 C 0.698(3) 1.2214(7) 0.538(2) 0.113(11) Uiso 0.50 d P . .
C54 C 0.724(3) 1.2434(6) 0.5335(19) 0.085(7) Uiso 0.50 d P . .
C55 C 0.668(2) 1.2130(5) 0.4327(15) 0.069(6) Uiso 0.50 d P . .
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'
F F 0.0171 0.0103 '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'
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'
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
C2 C1 C21 104.0(7) . . ?
C3 C2 C7 119.8(10) . . ?
C3 C2 C1 120.4(9) . . ?
C7 C2 C1 118.2(10) . . ?
C2 C3 C4 121.7(9) . . ?
C2 C3 Ag1 103.8(6) . . ?
C4 C3 Ag1 77.7(5) . . ?
C5 C4 C3 119.5(9) . . ?
C5 C4 Ag1 107.6(6) . . ?
C3 C4 Ag1 69.7(5) . . ?
C6 C5 C4 117.2(9) . . ?
C6 C5 C8 120.0(9) . . ?
C4 C5 C8 122.2(10) . . ?
C5 C6 C7 121.9(8) . . ?
C2 C7 C6 119.7(10) . . ?
C5 C8 C9 113.6(8) . . ?
C8 C9 C10 115.6(7) . . ?
C15 C10 C11 117.8(8) . . ?
C15 C10 C9 120.6(8) . . ?
C11 C10 C9 121.6(8) . . ?
C10 C11 C12 119.1(8) . . ?
C10 C11 Ag1 104.5(6) . . ?
C12 C11 Ag1 67.8(5) . . ?
C13 C12 C11 122.7(8) . . ?
C13 C12 Ag1 98.1(5) . . ?
C11 C12 Ag1 80.2(5) . . ?
C14 C13 C12 116.7(8) . . ?
C14 C13 C16 123.3(9) . . ?
C12 C13 C16 119.9(9) . . ?
C13 C14 C15 121.7(9) . . ?
C10 C15 C14 121.9(9) . . ?
C17 C16 C13 115.8(8) . . ?
C18 C17 C16 111.1(8) . . ?
C19 C18 C23 116.7(10) . . ?
C19 C18 C17 122.6(9) . . ?
C23 C18 C17 120.8(8) . . ?
C18 C19 C20 122.8(9) . . ?
C18 C19 Ag1 103.3(6) . . ?
C20 C19 Ag1 69.5(5) . . ?
C21 C20 C19 118.6(9) . . ?
C21 C20 Ag1 100.1(5) . . ?
C19 C20 Ag1 79.1(5) . . ?
C22 C21 C20 119.6(10) . . ?
C22 C21 C1 120.4(9) . . ?
C20 C21 C1 118.8(9) . . ?
C21 C22 C23 121.3(9) . . ?
C22 C23 C18 120.5(8) . . ?
C21B C1B C2B 103.3(12) . . ?
C7B C2B C3B 117.2(15) . . ?
C7B C2B C1B 122.1(14) . . ?
C3B C2B C1B 120.1(15) . . ?
C4B C3B C2B 118.0(14) . . ?
C4B C3B Ag2 77.9(7) . . ?
C2B C3B Ag2 100.0(7) . . ?
C5B C4B C3B 124.5(11) . . ?
C5B C4B Ag2 107.1(8) . . ?
C3B C4B Ag2 71.2(7) . . ?
C4B C5B C6B 117.6(14) . . ?
C4B C5B C8B 122.7(11) . . ?
C6B C5B C8B 119.0(14) . . ?
C5B C6B C7B 118.0(13) . . ?
C2B C7B C6B 124.1(12) . . ?
C5B C8B C9B 111.3(11) . . ?
C10B C9B C8B 115.8(12) . . ?
C11B C10B C15B 115.9(11) . . ?
C11B C10B C9B 122.0(11) . . ?
C15B C10B C9B 122.0(11) . . ?
C10B C11B C12B 121.5(9) . . ?
C10B C11B Ag2 105.7(7) . . ?
C12B C11B Ag2 66.5(5) . . ?
C11B C12B C13B 120.9(9) . . ?
C11B C12B Ag2 81.4(6) . . ?
C13B C12B Ag2 96.6(6) . . ?
C14B C13B C12B 118.4(9) . . ?
C14B C13B C16B 120.5(8) . . ?
C12B C13B C16B 121.1(9) . . ?
C13B C14B C15B 119.3(8) . . ?
C10B C15B C14B 123.6(10) . . ?
C13B C16B C17B 114.8(9) . . ?
C18B C17B C16B 112.4(10) . . ?
C19B C18B C23B 118.0(12) . . ?
C19B C18B C17B 121.9(11) . . ?
C23B C18B C17B 119.4(11) . . ?
C18B C19B C20B 120.4(10) . . ?
C18B C19B Ag2 106.1(7) . . ?
C20B C19B Ag2 71.0(6) . . ?
C21B C20B C19B 120.4(11) . . ?
C21B C20B Ag2 98.3(7) . . ?
C19B C20B Ag2 78.0(6) . . ?
C22B C21B C20B 117.8(12) . . ?
C22B C21B C1B 119.3(13) . . ?
C20B C21B C1B 122.2(14) . . ?
C23B C22B C21B 119.9(10) . . ?
C22B C23B C18B 123.2(11) . . ?
C2C C1C C21C 114.7(15) . . ?
C7C C2C C3C 122(3) . . ?
C7C C2C C1C 129(3) . . ?
C3C C2C C1C 107(2) . . ?
C4C C3C C2C 113(3) . . ?
C4C C3C Ag3 85.4(18) . . ?
C2C C3C Ag3 102.4(13) . . ?
C3C C4C C5C 125(3) . . ?
C3C C4C Ag3 66.7(13) . . ?
C5C C4C Ag3 107.8(13) . . ?
C6C C5C C4C 120(3) . . ?
C6C C5C C8C 114(3) . . ?
C4C C5C C8C 120(2) . . ?
C5C C6C C7C 111(3) . . ?
C2C C7C C6C 127(3) . . ?
C9C C8C C5C 122(2) . . ?
C10C C9C C8C 109.9(17) . . ?
C11C C10C C15C 117.1(15) . . ?
C11C C10C C9C 121.5(15) . . ?
C15C C10C C9C 121.2(17) . . ?
C12C C11C C10C 125.3(16) . . ?
C12C C11C Ag3 78.8(9) . . ?
C10C C11C Ag3 98.1(11) . . ?
C11C C12C C13C 123.1(18) . . ?
C11C C12C Ag3 71.5(9) . . ?
C13C C12C Ag3 106.3(10) . . ?
C16C C13C C14C 125.6(15) . . ?
C16C C13C C12C 124.7(17) . . ?
C14C C13C C12C 109.5(15) . . ?
C15C C14C C13C 128.0(15) . . ?
C14C C15C C10C 116.5(17) . . ?
C17C C16C C13C 116.4(13) . . ?
C16C C17C C18C 116.0(17) . . ?
C23C C18C C19C 116(2) . . ?
C23C C18C C17C 117(2) . . ?
C19C C18C C17C 126(2) . . ?
C20C C19C C18C 120(3) . . ?
C20C C19C Ag3 73.3(13) . . ?
C18C C19C Ag3 101.3(14) . . ?
C19C C20C C21C 127(2) . . ?
C19C C20C Ag3 78.3(11) . . ?
C21C C20C Ag3 105.0(15) . . ?
C20C C21C C22C 114(2) . . ?
C20C C21C C1C 121(2) . . ?
C22C C21C C1C 118(2) . . ?
C23C C22C C21C 120(2) . . ?
C22C C23C C18C 121(2) . . ?
C2D C1D C21D 105.9(11) . . ?
C7D C2D C3D 114.2(16) . . ?
C7D C2D C1D 122.4(15) . . ?
C3D C2D C1D 120.2(14) . . ?
C4D C3D C2D 120.4(17) . . ?
C4D C3D Ag4 78.3(13) . . ?
C2D C3D Ag4 100.5(11) . . ?
C3D C4D C5D 127.1(16) . . ?
C3D C4D Ag4 74.5(10) . . ?
C5D C4D Ag4 99.7(11) . . ?
C8D C5D C6D 126.7(17) . . ?
C8D C5D C4D 120.8(14) . . ?
C6D C5D C4D 112.3(17) . . ?
C7D C6D C5D 123.6(17) . . ?
C6D C7D C2D 121.7(15) . . ?
C5D C8D C9D 107.5(13) . . ?
C10D C9D C8D 118.1(12) . . ?
C11D C10D C15D 120.0 . . ?
C11D C10D C9D 120.0(8) . . ?
C15D C10D C9D 119.6(8) . . ?
C12D C11D C10D 120.0 . . ?
C12D C11D Ag4 70.7(3) . . ?
C10D C11D Ag4 105.2(3) . . ?
C11D C12D C13D 120.0 . . ?
C11D C12D Ag4 77.1(3) . . ?
C13D C12D Ag4 102.2(3) . . ?
C12D C13D C14D 120.0 . . ?
C12D C13D C16D 119.5(7) . . ?
C14D C13D C16D 120.3(7) . . ?
C13D C14D C15D 120.0 . . ?
C14D C15D C10D 120.0 . . ?
C13D C16D C17D 115.9(10) . . ?
C18D C17D C16D 114.5(9) . . ?
C19D C18D C23D 120.0 . . ?
C19D C18D C17D 120.1(7) . . ?
C23D C18D C17D 119.4(7) . . ?
C18D C19D C20D 120.0 . . ?
C18D C19D Ag4 106.2(3) . . ?
C20D C19D Ag4 69.3(3) . . ?
C21D C20D C19D 120.0 . . ?
C21D C20D Ag4 101.4(3) . . ?
C19D C20D Ag4 79.8(3) . . ?
C20D C21D C22D 120.0 . . ?
C20D C21D C1D 121.3(10) . . ?
C22D C21D C1D 116.5(10) . . ?
C23D C22D C21D 120.0 . . ?
C22D C23D C18D 120.0 . . ?
O10 Ag1 C12 97.4(3) . . ?
O10 Ag1 C3 96.7(3) . . ?
C12 Ag1 C3 146.6(3) . . ?
O10 Ag1 C20 97.0(3) . . ?
C12 Ag1 C20 127.3(3) . . ?
C3 Ag1 C20 80.5(3) . . ?
O10 Ag1 C11 102.9(2) . . ?
C12 Ag1 C11 32.0(3) . . ?
C3 Ag1 C11 115.0(3) . . ?
C20 Ag1 C11 152.7(3) . . ?
O10 Ag1 C4 95.9(3) . . ?
C12 Ag1 C4 115.7(3) . . ?
C3 Ag1 C4 32.5(3) . . ?
C20 Ag1 C4 112.8(3) . . ?
C11 Ag1 C4 83.7(3) . . ?
O10 Ag1 C19 97.8(2) . . ?
C12 Ag1 C19 96.4(3) . . ?
C3 Ag1 C19 111.4(3) . . ?
C20 Ag1 C19 31.3(3) . . ?
C11 Ag1 C19 125.9(3) . . ?
C4 Ag1 C19 143.0(3) . . ?
O2 S1 O3 113.9(5) . . ?
O2 S1 O1 117.0(6) . . ?
O3 S1 O1 113.7(5) . . ?
O2 S1 C24 106.1(6) . . ?
O3 S1 C24 102.6(6) . . ?
O1 S1 C24 101.3(5) . . ?
F3 C24 F2 109.9(12) . . ?
F3 C24 F1 107.4(11) . . ?
F2 C24 F1 108.9(10) . . ?
F3 C24 S1 111.9(9) . . ?
F2 C24 S1 111.8(9) . . ?
F1 C24 S1 106.7(10) . . ?
C12B Ag2 O1B 105.9(3) . . ?
C12B Ag2 C3B 146.5(5) . . ?
O1B Ag2 C3B 84.1(3) . . ?
C12B Ag2 C20B 126.4(4) . . ?
O1B Ag2 C20B 100.0(3) . . ?
C3B Ag2 C20B 81.3(5) . . ?
C12B Ag2 C11B 32.1(3) . . ?
O1B Ag2 C11B 105.4(3) . . ?
C3B Ag2 C11B 114.7(5) . . ?
C20B Ag2 C11B 151.0(4) . . ?
C12B Ag2 C4B 116.7(5) . . ?
O1B Ag2 C4B 84.5(3) . . ?
C3B Ag2 C4B 31.0(5) . . ?
C20B Ag2 C4B 111.8(5) . . ?
C11B Ag2 C4B 84.7(5) . . ?
C12B Ag2 C19B 95.8(4) . . ?
O1B Ag2 C19B 107.0(3) . . ?
C3B Ag2 C19B 112.0(4) . . ?
C20B Ag2 C19B 31.1(4) . . ?
C11B Ag2 C19B 124.8(3) . . ?
C4B Ag2 C19B 141.4(4) . . ?
O3B S1B O1B 115.3(5) . . ?
O3B S1B O2B 114.8(5) . . ?
O1B S1B O2B 113.7(5) . . ?
O3B S1B C24B 103.9(5) . . ?
O1B S1B C24B 102.7(5) . . ?
O2B S1B C24B 104.4(5) . . ?
S1B O1B Ag2 117.6(4) . . ?
F3B C24B F1B 110.1(10) . . ?
F3B C24B F2B 108.1(9) . . ?
F1B C24B F2B 105.7(9) . . ?
F3B C24B S1B 112.3(8) . . ?
F1B C24B S1B 110.8(8) . . ?
F2B C24B S1B 109.5(7) . . ?
C11C Ag3 C3C 126.8(9) . . ?
C11C Ag3 C20C 145.9(7) . . ?
C3C Ag3 C20C 82.8(10) . . ?
C11C Ag3 C12C 29.7(5) . . ?
C3C Ag3 C12C 151.9(9) . . ?
C20C Ag3 C12C 116.5(7) . . ?
C11C Ag3 O1C 94.6(4) . . ?
C3C Ag3 O1C 79.0(6) . . ?
C20C Ag3 O1C 109.2(6) . . ?
C12C Ag3 O1C 110.4(4) . . ?
C11C Ag3 C19C 119.2(7) . . ?
C3C Ag3 C19C 111.1(10) . . ?
C20C Ag3 C19C 28.3(7) . . ?
C12C Ag3 C19C 89.5(7) . . ?
O1C Ag3 C19C 114.6(6) . . ?
C11C Ag3 C4C 99.3(9) . . ?
C3C Ag3 C4C 27.9(9) . . ?
C20C Ag3 C4C 110.3(10) . . ?
C12C Ag3 C4C 127.0(9) . . ?
O1C Ag3 C4C 74.4(6) . . ?
C19C Ag3 C4C 138.4(9) . . ?
O2C S1C O1C 116.2(8) . . ?
O2C S1C O3C 114.0(8) . . ?
O1C S1C O3C 113.3(7) . . ?
O2C S1C C24C 104.2(9) . . ?
O1C S1C C24C 106.5(10) . . ?
O3C S1C C24C 100.5(11) . . ?
S1C O1C Ag3 108.6(6) . . ?
F3C C24C F2C 116(3) . . ?
F3C C24C F1C 104.0(19) . . ?
F2C C24C F1C 105.2(19) . . ?
F3C C24C S1C 110.8(19) . . ?
F2C C24C S1C 112.3(17) . . ?
F1C C24C S1C 108(2) . . ?
O1D Ag4 C12D 95.1(3) . . ?
O1D Ag4 C3D 97.2(5) . . ?
C12D Ag4 C3D 148.8(5) . . ?
O1D Ag4 C20D 92.7(3) . . ?
C12D Ag4 C20D 123.3(2) . . ?
C3D Ag4 C20D 84.6(5) . . ?
O1D Ag4 C11D 103.5(3) . . ?
C12D Ag4 C11D 32.23(8) . . ?
C3D Ag4 C11D 116.7(5) . . ?
C20D Ag4 C11D 150.69(19) . . ?
O1D Ag4 C4D 99.5(4) . . ?
C12D Ag4 C4D 122.2(5) . . ?
C3D Ag4 C4D 27.2(6) . . ?
C20D Ag4 C4D 111.5(5) . . ?
C11D Ag4 C4D 90.0(5) . . ?
O1D Ag4 C19D 92.4(3) . . ?
C12D Ag4 C19D 92.6(3) . . ?
C3D Ag4 C19D 115.3(4) . . ?
C20D Ag4 C19D 30.95(8) . . ?
C11D Ag4 C19D 122.6(2) . . ?
C4D Ag4 C19D 141.6(5) . . ?
O1D S1D O3D 118.3(7) . . ?
O1D S1D O2D 111.1(7) . . ?
O3D S1D O2D 111.2(6) . . ?
O1D S1D C24D 113.2(8) . . ?
O3D S1D C24D 107.2(9) . . ?
O2D S1D C24D 92.9(7) . . ?
S1D O1D Ag4 135.1(7) . . ?
F1D C24D F2D 100.0(13) . . ?
F1D C24D F3D 116.3(16) . . ?
F2D C24D F3D 129.0(18) . . ?
F1D C24D S1D 107.6(13) . . ?
F2D C24D S1D 104.7(11) . . ?
F3D C24D S1D 97.4(10) . . ?
C52 C51 C50 127(3) . . ?
C52 C51 C55 67(2) . . ?
C50 C51 C55 87(2) . . ?
C51 C52 C55 72(2) . . ?
C54 C53 C55 104(3) . . ?
C53 C55 C52 146(2) . . ?
C53 C55 C51 159(2) . . ?
C52 C55 C51 40.5(13) . . ?
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
C1 C2 1.521(15) . ?
C1 C21 1.544(15) . ?
C2 C3 1.337(15) . ?
C2 C7 1.374(14) . ?
C3 C4 1.438(14) . ?
C3 Ag1 2.508(9) . ?
C4 C5 1.400(14) . ?
C4 Ag1 2.613(9) . ?
C5 C6 1.386(16) . ?
C5 C8 1.471(14) . ?
C6 C7 1.418(15) . ?
C8 C9 1.526(14) . ?
C9 C10 1.529(13) . ?
C10 C15 1.369(12) . ?
C10 C11 1.399(13) . ?
C11 C12 1.401(13) . ?
C11 Ag1 2.606(9) . ?
C12 C13 1.395(13) . ?
C12 Ag1 2.447(8) . ?
C13 C14 1.357(14) . ?
C13 C16 1.523(13) . ?
C14 C15 1.397(12) . ?
C16 C17 1.515(15) . ?
C17 C18 1.496(14) . ?
C18 C19 1.387(13) . ?
C18 C23 1.415(14) . ?
C19 C20 1.415(15) . ?
C19 Ag1 2.673(9) . ?
C20 C21 1.404(14) . ?
C20 Ag1 2.550(8) . ?
C21 C22 1.365(13) . ?
C22 C23 1.412(15) . ?
C1B C21B 1.51(2) . ?
C1B C2B 1.52(2) . ?
C2B C7B 1.37(2) . ?
C2B C3B 1.410(18) . ?
C3B C4B 1.39(2) . ?
C3B Ag2 2.559(11) . ?
C4B C5B 1.38(2) . ?
C4B Ag2 2.643(12) . ?
C5B C6B 1.394(17) . ?
C5B C8B 1.53(2) . ?
C6B C7B 1.41(2) . ?
C8B C9B 1.57(2) . ?
C9B C10B 1.483(18) . ?
C10B C11B 1.390(15) . ?
C10B C15B 1.408(15) . ?
C11B C12B 1.405(15) . ?
C11B Ag2 2.614(10) . ?
C12B C13B 1.428(12) . ?
C12B Ag2 2.425(9) . ?
C13B C14B 1.367(14) . ?
C13B C16B 1.495(16) . ?
C14B C15B 1.413(17) . ?
C16B C17B 1.526(16) . ?
C17B C18B 1.504(19) . ?
C18B C19B 1.365(17) . ?
C18B C23B 1.382(16) . ?
C19B C20B 1.426(19) . ?
C19B Ag2 2.704(10) . ?
C20B C21B 1.401(19) . ?
C20B Ag2 2.613(10) . ?
C21B C22B 1.395(17) . ?
C22B C23B 1.375(17) . ?
C1C C2C 1.530(18) . ?
C1C C21C 1.549(17) . ?
C2C C7C 1.23(3) . ?
C2C C3C 1.50(3) . ?
C3C C4C 1.25(4) . ?
C3C Ag3 2.45(2) . ?
C4C C5C 1.51(3) . ?
C4C Ag3 2.662(19) . ?
C5C C6C 1.35(3) . ?
C5C C8C 1.571(18) . ?
C6C C7C 1.45(4) . ?
C8C C9C 1.580(17) . ?
C9C C10C 1.495(16) . ?
C10C C11C 1.36(2) . ?
C10C C15C 1.43(2) . ?
C11C C12C 1.27(2) . ?
C11C Ag3 2.439(14) . ?
C12C C13C 1.45(2) . ?
C12C Ag3 2.523(15) . ?
C13C C16C 1.43(2) . ?
C13C C14C 1.44(2) . ?
C14C C15C 1.32(2) . ?
C16C C17C 1.423(19) . ?
C17C C18C 1.50(3) . ?
C18C C23C 1.33(3) . ?
C18C C19C 1.46(3) . ?
C19C C20C 1.25(3) . ?
C19C Ag3 2.577(19) . ?
C20C C21C 1.28(3) . ?
C20C Ag3 2.521(16) . ?
C21C C22C 1.50(3) . ?
C22C C23C 1.33(3) . ?
C1D C2D 1.562(16) . ?
C1D C21D 1.575(18) . ?
C2D C7D 1.39(2) . ?
C2D C3D 1.51(2) . ?
C3D C4D 1.20(2) . ?
C3D Ag4 2.520(17) . ?
C4D C5D 1.44(3) . ?
C4D Ag4 2.561(14) . ?
C5D C8D 1.37(2) . ?
C5D C6D 1.39(2) . ?
C6D C7D 1.33(2) . ?
C8D C9D 1.55(3) . ?
C9D C10D 1.53(2) . ?
C10D C11D 1.3900 . ?
C10D C15D 1.3900 . ?
C11D C12D 1.3900 . ?
C11D Ag4 2.540(7) . ?
C12D C13D 1.3900 . ?
C12D Ag4 2.459(7) . ?
C13D C14D 1.3900 . ?
C13D C16D 1.505(16) . ?
C14D C15D 1.3900 . ?
C16D C17D 1.555(15) . ?
C17D C18D 1.508(15) . ?
C18D C19D 1.3900 . ?
C18D C23D 1.3900 . ?
C19D C20D 1.3900 . ?
C19D Ag4 2.659(7) . ?
C20D C21D 1.3900 . ?
C20D Ag4 2.528(7) . ?
C21D C22D 1.3900 . ?
C22D C23D 1.3900 . ?
Ag1 O10 2.378(6) . ?
S1 O2 1.424(8) . ?
S1 O3 1.433(8) . ?
S1 O1 1.443(8) . ?
S1 C24 1.826(13) . ?
C24 F3 1.270(15) . ?
C24 F2 1.311(12) . ?
C24 F1 1.387(17) . ?
Ag2 O1B 2.447(6) . ?
S1B O3B 1.420(7) . ?
S1B O1B 1.447(7) . ?
S1B O2B 1.450(7) . ?
S1B C24B 1.807(11) . ?
C24B F3B 1.289(13) . ?
C24B F1B 1.311(14) . ?
C24B F2B 1.357(13) . ?
Ag3 O1C 2.531(11) . ?
S1C O2C 1.407(12) . ?
S1C O1C 1.424(10) . ?
S1C O3C 1.444(11) . ?
S1C C24C 1.81(3) . ?
C24C F3C 1.27(2) . ?
C24C F2C 1.29(3) . ?
C24C F1C 1.40(3) . ?
Ag4 O1D 2.418(10) . ?
S1D O1D 1.362(10) . ?
S1D O3D 1.438(12) . ?
S1D O2D 1.662(12) . ?
S1D C24D 1.773(16) . ?
C24D F1D 1.322(16) . ?
C24D F2D 1.341(16) . ?
C24D F3D 1.361(15) . ?
C50 C51 1.36(4) . ?
C51 C52 1.34(4) . ?
C51 C55 1.97(4) . ?
C52 C55 1.90(4) . ?
C53 C54 1.25(5) . ?
C53 C55 1.76(4) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C21 C1 C2 C3 -80.5(10) . . . . ?
C21 C1 C2 C7 85.3(10) . . . . ?
C7 C2 C3 C4 -2.4(14) . . . . ?
C1 C2 C3 C4 163.2(8) . . . . ?
C7 C2 C3 Ag1 -86.4(9) . . . . ?
C1 C2 C3 Ag1 79.2(8) . . . . ?
C2 C3 C4 C5 0.5(14) . . . . ?
Ag1 C3 C4 C5 99.3(8) . . . . ?
C2 C3 C4 Ag1 -98.8(9) . . . . ?
C3 C4 C5 C6 2.1(14) . . . . ?
Ag1 C4 C5 C6 78.4(9) . . . . ?
C3 C4 C5 C8 -169.2(9) . . . . ?
Ag1 C4 C5 C8 -93.0(10) . . . . ?
C4 C5 C6 C7 -2.9(14) . . . . ?
C8 C5 C6 C7 168.6(9) . . . . ?
C3 C2 C7 C6 1.6(14) . . . . ?
C1 C2 C7 C6 -164.3(8) . . . . ?
C5 C6 C7 C2 1.1(14) . . . . ?
C6 C5 C8 C9 -59.3(14) . . . . ?
C4 C5 C8 C9 111.9(12) . . . . ?
C5 C8 C9 C10 -43.5(14) . . . . ?
C8 C9 C10 C15 124.7(10) . . . . ?
C8 C9 C10 C11 -53.8(13) . . . . ?
C15 C10 C11 C12 -0.1(12) . . . . ?
C9 C10 C11 C12 178.4(8) . . . . ?
C15 C10 C11 Ag1 -72.4(8) . . . . ?
C9 C10 C11 Ag1 106.1(7) . . . . ?
C10 C11 C12 C13 -1.3(12) . . . . ?
Ag1 C11 C12 C13 93.4(8) . . . . ?
C10 C11 C12 Ag1 -94.7(7) . . . . ?
C11 C12 C13 C14 1.7(12) . . . . ?
Ag1 C12 C13 C14 85.2(8) . . . . ?
C11 C12 C13 C16 -175.4(8) . . . . ?
Ag1 C12 C13 C16 -91.8(8) . . . . ?
C12 C13 C14 C15 -0.7(12) . . . . ?
C16 C13 C14 C15 176.3(8) . . . . ?
C11 C10 C15 C14 1.1(12) . . . . ?
C9 C10 C15 C14 -177.4(8) . . . . ?
C13 C14 C15 C10 -0.7(12) . . . . ?
C14 C13 C16 C17 -47.1(13) . . . . ?
C12 C13 C16 C17 129.8(10) . . . . ?
C13 C16 C17 C18 -43.2(12) . . . . ?
C16 C17 C18 C19 -62.8(11) . . . . ?
C16 C17 C18 C23 115.7(10) . . . . ?
C23 C18 C19 C20 -7.1(14) . . . . ?
C17 C18 C19 C20 171.4(8) . . . . ?
C23 C18 C19 Ag1 -81.2(9) . . . . ?
C17 C18 C19 Ag1 97.3(9) . . . . ?
C18 C19 C20 C21 2.6(13) . . . . ?
Ag1 C19 C20 C21 95.6(7) . . . . ?
C18 C19 C20 Ag1 -93.0(9) . . . . ?
C19 C20 C21 C22 3.4(13) . . . . ?
Ag1 C20 C21 C22 86.4(9) . . . . ?
C19 C20 C21 C1 -163.9(8) . . . . ?
Ag1 C20 C21 C1 -80.8(8) . . . . ?
C2 C1 C21 C22 -84.6(10) . . . . ?
C2 C1 C21 C20 82.6(10) . . . . ?
C20 C21 C22 C23 -4.5(13) . . . . ?
C1 C21 C22 C23 162.5(8) . . . . ?
C21 C22 C23 C18 -0.2(13) . . . . ?
C19 C18 C23 C22 5.9(13) . . . . ?
C17 C18 C23 C22 -172.7(8) . . . . ?
C21B C1B C2B C7B 87.3(16) . . . . ?
C21B C1B C2B C3B -83.6(16) . . . . ?
C7B C2B C3B C4B -8.3(17) . . . . ?
C1B C2B C3B C4B 163.1(13) . . . . ?
C7B C2B C3B Ag2 -89.8(12) . . . . ?
C1B C2B C3B Ag2 81.6(13) . . . . ?
C2B C3B C4B C5B 3.3(18) . . . . ?
Ag2 C3B C4B C5B 98.2(12) . . . . ?
C2B C3B C4B Ag2 -95.0(10) . . . . ?
C3B C4B C5B C6B 0.8(19) . . . . ?
Ag2 C4B C5B C6B 79.3(13) . . . . ?
C3B C4B C5B C8B -169.7(12) . . . . ?
Ag2 C4B C5B C8B -91.2(12) . . . . ?
C4B C5B C6B C7B 0.4(18) . . . . ?
C8B C5B C6B C7B 171.2(12) . . . . ?
C3B C2B C7B C6B 10(2) . . . . ?
C1B C2B C7B C6B -161.1(14) . . . . ?
C5B C6B C7B C2B -6(2) . . . . ?
C4B C5B C8B C9B 114.2(13) . . . . ?
C6B C5B C8B C9B -56.2(14) . . . . ?
C5B C8B C9B C10B -45.0(16) . . . . ?
C8B C9B C10B C11B -53.3(19) . . . . ?
C8B C9B C10B C15B 125.4(14) . . . . ?
C15B C10B C11B C12B -0.4(16) . . . . ?
C9B C10B C11B C12B 178.4(12) . . . . ?
C15B C10B C11B Ag2 -72.1(11) . . . . ?
C9B C10B C11B Ag2 106.7(12) . . . . ?
C10B C11B C12B C13B -2.0(15) . . . . ?
Ag2 C11B C12B C13B 92.6(8) . . . . ?
C10B C11B C12B Ag2 -94.6(10) . . . . ?
C11B C12B C13B C14B 0.2(14) . . . . ?
Ag2 C12B C13B C14B 84.1(8) . . . . ?
C11B C12B C13B C16B -178.2(9) . . . . ?
Ag2 C12B C13B C16B -94.3(9) . . . . ?
C12B C13B C14B C15B 3.8(14) . . . . ?
C16B C13B C14B C15B -177.8(9) . . . . ?
C11B C10B C15B C14B 4.7(17) . . . . ?
C9B C10B C15B C14B -174.1(12) . . . . ?
C13B C14B C15B C10B -6.5(16) . . . . ?
C14B C13B C16B C17B -46.0(14) . . . . ?
C12B C13B C16B C17B 132.4(11) . . . . ?
C13B C16B C17B C18B -45.2(15) . . . . ?
C16B C17B C18B C19B -56.1(16) . . . . ?
C16B C17B C18B C23B 114.3(12) . . . . ?
C23B C18B C19B C20B 0.1(15) . . . . ?
C17B C18B C19B C20B 170.7(10) . . . . ?
C23B C18B C19B Ag2 -76.9(10) . . . . ?
C17B C18B C19B Ag2 93.6(11) . . . . ?
C18B C19B C20B C21B -5.2(16) . . . . ?
Ag2 C19B C20B C21B 92.7(10) . . . . ?
C18B C19B C20B Ag2 -97.9(9) . . . . ?
C19B C20B C21B C22B 7.7(16) . . . . ?
Ag2 C20B C21B C22B 88.6(11) . . . . ?
C19B C20B C21B C1B -161.9(12) . . . . ?
Ag2 C20B C21B C1B -81.0(12) . . . . ?
C2B C1B C21B C22B -84.4(15) . . . . ?
C2B C1B C21B C20B 85.1(16) . . . . ?
C20B C21B C22B C23B -5.3(16) . . . . ?
C1B C21B C22B C23B 164.6(11) . . . . ?
C21B C22B C23B C18B 0.3(17) . . . . ?
C19B C18B C23B C22B 2.3(16) . . . . ?
C17B C18B C23B C22B -168.5(10) . . . . ?
C21C C1C C2C C7C 85(3) . . . . ?
C21C C1C C2C C3C -80(2) . . . . ?
C7C C2C C3C C4C 2(3) . . . . ?
C1C C2C C3C C4C 168.7(19) . . . . ?
C7C C2C C3C Ag3 -88(2) . . . . ?
C1C C2C C3C Ag3 78.4(19) . . . . ?
C2C C3C C4C C5C -5(3) . . . . ?
Ag3 C3C C4C C5C 96(2) . . . . ?
C2C C3C C4C Ag3 -101.5(18) . . . . ?
C3C C4C C5C C6C -2(3) . . . . ?
Ag3 C4C C5C C6C 71(2) . . . . ?
C3C C4C C5C C8C -154(2) . . . . ?
Ag3 C4C C5C C8C -80(2) . . . . ?
C4C C5C C6C C7C 12(3) . . . . ?
C8C C5C C6C C7C 165.0(17) . . . . ?
C3C C2C C7C C6C 9(3) . . . . ?
C1C C2C C7C C6C -154(2) . . . . ?
C5C C6C C7C C2C -16(3) . . . . ?
C6C C5C C8C C9C -109(2) . . . . ?
C4C C5C C8C C9C 44(3) . . . . ?
C5C C8C C9C C10C 47(3) . . . . ?
C8C C9C C10C C11C -131.2(19) . . . . ?
C8C C9C C10C C15C 54(3) . . . . ?
C15C C10C C11C C12C -7(2) . . . . ?
C9C C10C C11C C12C 178.0(17) . . . . ?
C15C C10C C11C Ag3 -88.9(13) . . . . ?
C9C C10C C11C Ag3 96.0(17) . . . . ?
C10C C11C C12C C13C 6(2) . . . . ?
Ag3 C11C C12C C13C 97.7(14) . . . . ?
C10C C11C C12C Ag3 -92.1(16) . . . . ?
C11C C12C C13C C16C -178.5(15) . . . . ?
Ag3 C12C C13C C16C -100.3(16) . . . . ?
C11C C12C C13C C14C -3(2) . . . . ?
Ag3 C12C C13C C14C 75.0(13) . . . . ?
C16C C13C C14C C15C 178.4(14) . . . . ?
C12C C13C C14C C15C 3(2) . . . . ?
C13C C14C C15C C10C -5(2) . . . . ?
C11C C10C C15C C14C 6(2) . . . . ?
C9C C10C C15C C14C -178.8(16) . . . . ?
C14C C13C C16C C17C -125.1(17) . . . . ?
C12C C13C C16C C17C 49(2) . . . . ?
C13C C16C C17C C18C 46(2) . . . . ?
C16C C17C C18C C23C 56(2) . . . . ?
C16C C17C C18C C19C -116(2) . . . . ?
C23C C18C C19C C20C -7(3) . . . . ?
C17C C18C C19C C20C 165.6(18) . . . . ?
C23C C18C C19C Ag3 -84.1(16) . . . . ?
C17C C18C C19C Ag3 88(2) . . . . ?
C18C C19C C20C C21C 7(3) . . . . ?
Ag3 C19C C20C C21C 100(2) . . . . ?
C18C C19C C20C Ag3 -93.5(17) . . . . ?
C19C C20C C21C C22C -4(3) . . . . ?
Ag3 C20C C21C C22C 82.9(17) . . . . ?
C19C C20C C21C C1C -153(2) . . . . ?
Ag3 C20C C21C C1C -67(2) . . . . ?
C2C C1C C21C C20C 78(3) . . . . ?
C2C C1C C21C C22C -71(2) . . . . ?
C20C C21C C22C C23C 2(3) . . . . ?
C1C C21C C22C C23C 152.4(18) . . . . ?
C21C C22C C23C C18C -3(3) . . . . ?
C19C C18C C23C C22C 5(3) . . . . ?
C17C C18C C23C C22C -168.1(18) . . . . ?
C21D C1D C2D C7D 81(2) . . . . ?
C21D C1D C2D C3D -78(2) . . . . ?
C7D C2D C3D C4D -2(2) . . . . ?
C1D C2D C3D C4D 158.2(18) . . . . ?
C7D C2D C3D Ag4 -84.3(14) . . . . ?
C1D C2D C3D Ag4 75.7(18) . . . . ?
C2D C3D C4D C5D -5(3) . . . . ?
Ag4 C3D C4D C5D 90.5(18) . . . . ?
C2D C3D C4D Ag4 -95.4(16) . . . . ?
C3D C4D C5D C8D -174.6(18) . . . . ?
Ag4 C4D C5D C8D -96.8(15) . . . . ?
C3D C4D C5D C6D 10(3) . . . . ?
Ag4 C4D C5D C6D 87.4(13) . . . . ?
C8D C5D C6D C7D 176.6(18) . . . . ?
C4D C5D C6D C7D -8(2) . . . . ?
C5D C6D C7D C2D 2(3) . . . . ?
C3D C2D C7D C6D 3(2) . . . . ?
C1D C2D C7D C6D -156.4(17) . . . . ?
C6D C5D C8D C9D -59(2) . . . . ?
C4D C5D C8D C9D 126.3(16) . . . . ?
C5D C8D C9D C10D -52.1(16) . . . . ?
C8D C9D C10D C11D -44.5(15) . . . . ?
C8D C9D C10D C15D 128.2(11) . . . . ?
C15D C10D C11D C12D 0.0 . . . . ?
C9D C10D C11D C12D 172.6(10) . . . . ?
C15D C10D C11D Ag4 -76.2(3) . . . . ?
C9D C10D C11D Ag4 96.4(9) . . . . ?
C10D C11D C12D C13D 0.0 . . . . ?
Ag4 C11D C12D C13D 96.8(3) . . . . ?
C10D C11D C12D Ag4 -96.8(3) . . . . ?
C11D C12D C13D C14D 0.0 . . . . ?
Ag4 C12D C13D C14D 82.0(3) . . . . ?
C11D C12D C13D C16D -174.7(9) . . . . ?
Ag4 C12D C13D C16D -92.7(8) . . . . ?
C12D C13D C14D C15D 0.0 . . . . ?
C16D C13D C14D C15D 174.7(9) . . . . ?
C13D C14D C15D C10D 0.0 . . . . ?
C11D C10D C15D C14D 0.0 . . . . ?
C9D C10D C15D C14D -172.7(10) . . . . ?
C12D C13D C16D C17D 121.9(10) . . . . ?
C14D C13D C16D C17D -52.8(13) . . . . ?
C13D C16D C17D C18D -41.8(16) . . . . ?
C16D C17D C18D C19D -58.0(13) . . . . ?
C16D C17D C18D C23D 113.9(11) . . . . ?
C23D C18D C19D C20D 0.0 . . . . ?
C17D C18D C19D C20D 171.9(9) . . . . ?
C23D C18D C19D Ag4 -75.1(3) . . . . ?
C17D C18D C19D Ag4 96.8(8) . . . . ?
C18D C19D C20D C21D 0.0 . . . . ?
Ag4 C19D C20D C21D 97.3(3) . . . . ?
C18D C19D C20D Ag4 -97.3(3) . . . . ?
C19D C20D C21D C22D 0.0 . . . . ?
Ag4 C20D C21D C22D 84.6(3) . . . . ?
C19D C20D C21D C1D -162.7(10) . . . . ?
Ag4 C20D C21D C1D -78.0(9) . . . . ?
C2D C1D C21D C20D 80.3(14) . . . . ?
C2D C1D C21D C22D -82.9(14) . . . . ?
C20D C21D C22D C23D 0.0 . . . . ?
C1D C21D C22D C23D 163.5(9) . . . . ?
C21D C22D C23D C18D 0.0 . . . . ?
C19D C18D C23D C22D 0.0 . . . . ?
C17D C18D C23D C22D -172.0(9) . . . . ?
C13 C12 Ag1 O10 135.6(6) . . . . ?
C11 C12 Ag1 O10 -102.5(5) . . . . ?
C13 C12 Ag1 C3 -110.0(7) . . . . ?
C11 C12 Ag1 C3 11.9(9) . . . . ?
C13 C12 Ag1 C20 30.9(7) . . . . ?
C11 C12 Ag1 C20 152.8(5) . . . . ?
C13 C12 Ag1 C11 -121.9(8) . . . . ?
C13 C12 Ag1 C4 -124.2(6) . . . . ?
C11 C12 Ag1 C4 -2.3(6) . . . . ?
C13 C12 Ag1 C19 36.9(6) . . . . ?
C11 C12 Ag1 C19 158.8(5) . . . . ?
C2 C3 Ag1 O10 -149.6(6) . . . . ?
C4 C3 Ag1 O10 90.3(5) . . . . ?
C2 C3 Ag1 C12 95.8(8) . . . . ?
C4 C3 Ag1 C12 -24.2(9) . . . . ?
C2 C3 Ag1 C20 -53.6(6) . . . . ?
C4 C3 Ag1 C20 -173.6(6) . . . . ?
C2 C3 Ag1 C11 102.8(7) . . . . ?
C4 C3 Ag1 C11 -17.3(6) . . . . ?
C2 C3 Ag1 C4 120.0(9) . . . . ?
C2 C3 Ag1 C19 -48.5(7) . . . . ?
C4 C3 Ag1 C19 -168.6(5) . . . . ?
C21 C20 Ag1 O10 149.1(6) . . . . ?
C19 C20 Ag1 O10 -93.4(5) . . . . ?
C21 C20 Ag1 C12 -106.0(7) . . . . ?
C19 C20 Ag1 C12 11.5(7) . . . . ?
C21 C20 Ag1 C3 53.4(7) . . . . ?
C19 C20 Ag1 C3 170.9(6) . . . . ?
C21 C20 Ag1 C11 -74.1(10) . . . . ?
C19 C20 Ag1 C11 43.3(9) . . . . ?
C21 C20 Ag1 C4 49.7(7) . . . . ?
C19 C20 Ag1 C4 167.2(5) . . . . ?
C21 C20 Ag1 C19 -117.5(9) . . . . ?
C10 C11 Ag1 O10 -160.7(6) . . . . ?
C12 C11 Ag1 O10 83.3(5) . . . . ?
C10 C11 Ag1 C12 115.9(8) . . . . ?
C10 C11 Ag1 C3 -56.9(7) . . . . ?
C12 C11 Ag1 C3 -172.8(5) . . . . ?
C10 C11 Ag1 C20 63.5(9) . . . . ?
C12 C11 Ag1 C20 -52.4(9) . . . . ?
C10 C11 Ag1 C4 -66.1(6) . . . . ?
C12 C11 Ag1 C4 178.0(6) . . . . ?
C10 C11 Ag1 C19 89.6(6) . . . . ?
C12 C11 Ag1 C19 -26.3(7) . . . . ?
C5 C4 Ag1 O10 150.9(7) . . . . ?
C3 C4 Ag1 O10 -93.4(6) . . . . ?
C5 C4 Ag1 C12 49.8(8) . . . . ?
C3 C4 Ag1 C12 165.5(5) . . . . ?
C5 C4 Ag1 C3 -115.7(10) . . . . ?
C5 C4 Ag1 C20 -108.9(7) . . . . ?
C3 C4 Ag1 C20 6.8(6) . . . . ?
C5 C4 Ag1 C11 48.6(7) . . . . ?
C3 C4 Ag1 C11 164.3(6) . . . . ?
C5 C4 Ag1 C19 -97.9(8) . . . . ?
C3 C4 Ag1 C19 17.9(8) . . . . ?
C18 C19 Ag1 O10 -148.9(7) . . . . ?
C20 C19 Ag1 O10 90.7(5) . . . . ?
C18 C19 Ag1 C12 -50.5(7) . . . . ?
C20 C19 Ag1 C12 -170.8(5) . . . . ?
C18 C19 Ag1 C3 110.7(7) . . . . ?
C20 C19 Ag1 C3 -9.7(6) . . . . ?
C18 C19 Ag1 C20 120.4(10) . . . . ?
C18 C19 Ag1 C11 -36.8(8) . . . . ?
C20 C19 Ag1 C11 -157.2(5) . . . . ?
C18 C19 Ag1 C4 100.5(8) . . . . ?
C20 C19 Ag1 C4 -19.9(8) . . . . ?
O2 S1 C24 F3 174.2(9) . . . . ?
O3 S1 C24 F3 -66.0(10) . . . . ?
O1 S1 C24 F3 51.6(11) . . . . ?
O2 S1 C24 F2 -62.0(12) . . . . ?
O3 S1 C24 F2 57.8(12) . . . . ?
O1 S1 C24 F2 175.4(11) . . . . ?
O2 S1 C24 F1 57.0(8) . . . . ?
O3 S1 C24 F1 176.8(7) . . . . ?
O1 S1 C24 F1 -65.6(9) . . . . ?
C11B C12B Ag2 O1B -93.8(6) . . . . ?
C13B C12B Ag2 O1B 145.9(6) . . . . ?
C11B C12B Ag2 C3B 9.9(9) . . . . ?
C13B C12B Ag2 C3B -110.5(8) . . . . ?
C11B C12B Ag2 C20B 150.5(6) . . . . ?
C13B C12B Ag2 C20B 30.2(8) . . . . ?
C13B C12B Ag2 C11B -120.4(9) . . . . ?
C11B C12B Ag2 C4B -2.0(6) . . . . ?
C13B C12B Ag2 C4B -122.3(6) . . . . ?
C11B C12B Ag2 C19B 156.7(6) . . . . ?
C13B C12B Ag2 C19B 36.3(7) . . . . ?
C4B C3B Ag2 C12B -20.9(10) . . . . ?
C2B C3B Ag2 C12B 95.8(12) . . . . ?
C4B C3B Ag2 O1B 89.1(7) . . . . ?
C2B C3B Ag2 O1B -154.2(11) . . . . ?
C4B C3B Ag2 C20B -169.8(7) . . . . ?
C2B C3B Ag2 C20B -53.1(11) . . . . ?
C4B C3B Ag2 C11B -15.1(8) . . . . ?
C2B C3B Ag2 C11B 101.6(11) . . . . ?
C2B C3B Ag2 C4B 116.7(14) . . . . ?
C4B C3B Ag2 C19B -164.9(7) . . . . ?
C2B C3B Ag2 C19B -48.2(12) . . . . ?
C21B C20B Ag2 C12B -107.5(10) . . . . ?
C19B C20B Ag2 C12B 11.9(8) . . . . ?
C21B C20B Ag2 O1B 134.1(9) . . . . ?
C19B C20B Ag2 O1B -106.4(6) . . . . ?
C21B C20B Ag2 C3B 51.8(9) . . . . ?
C19B C20B Ag2 C3B 171.2(7) . . . . ?
C21B C20B Ag2 C11B -74.8(14) . . . . ?
C19B C20B Ag2 C11B 44.6(12) . . . . ?
C21B C20B Ag2 C4B 46.1(10) . . . . ?
C19B C20B Ag2 C4B 165.6(7) . . . . ?
C21B C20B Ag2 C19B -119.4(11) . . . . ?
C10B C11B Ag2 C12B 118.0(10) . . . . ?
C10B C11B Ag2 O1B -146.5(7) . . . . ?
C12B C11B Ag2 O1B 95.5(5) . . . . ?
C10B C11B Ag2 C3B -56.0(8) . . . . ?
C12B C11B Ag2 C3B -174.0(5) . . . . ?
C10B C11B Ag2 C20B 63.2(12) . . . . ?
C12B C11B Ag2 C20B -54.9(11) . . . . ?
C10B C11B Ag2 C4B -63.7(8) . . . . ?
C12B C11B Ag2 C4B 178.3(6) . . . . ?
C10B C11B Ag2 C19B 89.4(8) . . . . ?
C12B C11B Ag2 C19B -28.7(7) . . . . ?
C5B C4B Ag2 C12B 45.9(10) . . . . ?
C3B C4B Ag2 C12B 167.3(7) . . . . ?
C5B C4B Ag2 O1B 150.9(10) . . . . ?
C3B C4B Ag2 O1B -87.7(7) . . . . ?
C5B C4B Ag2 C3B -121.4(12) . . . . ?
C5B C4B Ag2 C20B -110.5(10) . . . . ?
C3B C4B Ag2 C20B 10.9(8) . . . . ?
C5B C4B Ag2 C11B 44.9(9) . . . . ?
C3B C4B Ag2 C11B 166.2(7) . . . . ?
C5B C4B Ag2 C19B -98.6(11) . . . . ?
C3B C4B Ag2 C19B 22.8(10) . . . . ?
C18B C19B Ag2 C12B -53.1(8) . . . . ?
C20B C19B Ag2 C12B -170.4(7) . . . . ?
C18B C19B Ag2 O1B -161.8(8) . . . . ?
C20B C19B Ag2 O1B 81.0(7) . . . . ?
C18B C19B Ag2 C3B 107.8(8) . . . . ?
C20B C19B Ag2 C3B -9.4(8) . . . . ?
C18B C19B Ag2 C20B 117.2(11) . . . . ?
C18B C19B Ag2 C11B -38.3(9) . . . . ?
C20B C19B Ag2 C11B -155.5(6) . . . . ?
C18B C19B Ag2 C4B 95.4(10) . . . . ?
C20B C19B Ag2 C4B -21.8(10) . . . . ?
O3B S1B O1B Ag2 120.5(5) . . . . ?
O2B S1B O1B Ag2 -15.0(7) . . . . ?
C24B S1B O1B Ag2 -127.2(5) . . . . ?
C12B Ag2 O1B S1B -53.2(6) . . . . ?
C3B Ag2 O1B S1B 159.4(7) . . . . ?
C20B Ag2 O1B S1B 79.4(7) . . . . ?
C11B Ag2 O1B S1B -86.5(6) . . . . ?
C4B Ag2 O1B S1B -169.5(6) . . . . ?
C19B Ag2 O1B S1B 48.2(6) . . . . ?
O3B S1B C24B F3B 60.2(10) . . . . ?
O1B S1B C24B F3B -60.3(10) . . . . ?
O2B S1B C24B F3B -179.2(8) . . . . ?
O3B S1B C24B F1B -176.2(8) . . . . ?
O1B S1B C24B F1B 63.3(9) . . . . ?
O2B S1B C24B F1B -55.6(9) . . . . ?
O3B S1B C24B F2B -60.0(9) . . . . ?
O1B S1B C24B F2B 179.5(8) . . . . ?
O2B S1B C24B F2B 60.7(9) . . . . ?
C12C C11C Ag3 C3C -155.9(12) . . . . ?
C10C C11C Ag3 C3C -31.3(14) . . . . ?
C12C C11C Ag3 C20C -10.5(19) . . . . ?
C10C C11C Ag3 C20C 114.0(15) . . . . ?
C10C C11C Ag3 C12C 124.5(16) . . . . ?
C12C C11C Ag3 O1C 124.4(11) . . . . ?
C10C C11C Ag3 O1C -111.0(10) . . . . ?
C12C C11C Ag3 C19C 2.9(14) . . . . ?
C10C C11C Ag3 C19C 127.4(11) . . . . ?
C12C C11C Ag3 C4C -160.6(12) . . . . ?
C10C C11C Ag3 C4C -36.1(11) . . . . ?
C4C C3C Ag3 C11C -10(2) . . . . ?
C2C C3C Ag3 C11C 102.5(19) . . . . ?
C4C C3C Ag3 C20C -171(2) . . . . ?
C2C C3C Ag3 C20C -58.7(19) . . . . ?
C4C C3C Ag3 C12C -36(3) . . . . ?
C2C C3C Ag3 C12C 77(3) . . . . ?
C4C C3C Ag3 O1C 77.4(18) . . . . ?
C2C C3C Ag3 O1C -170(2) . . . . ?
C4C C3C Ag3 C19C -170.3(18) . . . . ?
C2C C3C Ag3 C19C -58(2) . . . . ?
C2C C3C Ag3 C4C 113(3) . . . . ?
C19C C20C Ag3 C11C 25(2) . . . . ?
C21C C20C Ag3 C11C -101(2) . . . . ?
C19C C20C Ag3 C3C 177.9(18) . . . . ?
C21C C20C Ag3 C3C 52.1(18) . . . . ?
C19C C20C Ag3 C12C 19.4(19) . . . . ?
C21C C20C Ag3 C12C -106.3(17) . . . . ?
C19C C20C Ag3 O1C -106.5(16) . . . . ?
C21C C20C Ag3 O1C 127.8(16) . . . . ?
C21C C20C Ag3 C19C -126(3) . . . . ?
C19C C20C Ag3 C4C 173.6(16) . . . . ?
C21C C20C Ag3 C4C 47.9(19) . . . . ?
C13C C12C Ag3 C11C -120.1(19) . . . . ?
C11C C12C Ag3 C3C 44(2) . . . . ?
C13C C12C Ag3 C3C -76.1(19) . . . . ?
C11C C12C Ag3 C20C 173.4(12) . . . . ?
C13C C12C Ag3 C20C 53.3(15) . . . . ?
C11C C12C Ag3 O1C -61.3(12) . . . . ?
C13C C12C Ag3 O1C 178.6(11) . . . . ?
C11C C12C Ag3 C19C -177.5(12) . . . . ?
C13C C12C Ag3 C19C 62.4(13) . . . . ?
C11C C12C Ag3 C4C 24.2(15) . . . . ?
C13C C12C Ag3 C4C -96.0(13) . . . . ?
C20C C19C Ag3 C11C -164.1(15) . . . . ?
C18C C19C Ag3 C11C -45.4(18) . . . . ?
C20C C19C Ag3 C3C -2.2(19) . . . . ?
C18C C19C Ag3 C3C 116.4(16) . . . . ?
C18C C19C Ag3 C20C 119(3) . . . . ?
C20C C19C Ag3 C12C -162.7(17) . . . . ?
C18C C19C Ag3 C12C -44.0(16) . . . . ?
C20C C19C Ag3 O1C 85.0(17) . . . . ?
C18C C19C Ag3 O1C -156.3(14) . . . . ?
C20C C19C Ag3 C4C -9(2) . . . . ?
C18C C19C Ag3 C4C 109.6(17) . . . . ?
C3C C4C Ag3 C11C 171.8(18) . . . . ?
C5C C4C Ag3 C11C 51(2) . . . . ?
C5C C4C Ag3 C3C -121(3) . . . . ?
C3C C4C Ag3 C20C 9(2) . . . . ?
C5C C4C Ag3 C20C -112(2) . . . . ?
C3C C4C Ag3 C12C 159.9(16) . . . . ?
C5C C4C Ag3 C12C 39(2) . . . . ?
C3C C4C Ag3 O1C -96.0(19) . . . . ?
C5C C4C Ag3 O1C 143(2) . . . . ?
C3C C4C Ag3 C19C 14(2) . . . . ?
C5C C4C Ag3 C19C -107(2) . . . . ?
O2C S1C O1C Ag3 -125.1(7) . . . . ?
O3C S1C O1C Ag3 9.7(9) . . . . ?
C24C S1C O1C Ag3 119.3(9) . . . . ?
C11C Ag3 O1C S1C -94.5(7) . . . . ?
C3C Ag3 O1C S1C 138.8(10) . . . . ?
C20C Ag3 O1C S1C 60.6(9) . . . . ?
C12C Ag3 O1C S1C -68.7(8) . . . . ?
C19C Ag3 O1C S1C 30.5(9) . . . . ?
C4C Ag3 O1C S1C 167.1(10) . . . . ?
O2C S1C C24C F3C -179.3(17) . . . . ?
O1C S1C C24C F3C -56(2) . . . . ?
O3C S1C C24C F3C 62.5(19) . . . . ?
O2C S1C C24C F2C 49(2) . . . . ?
O1C S1C C24C F2C 172.8(16) . . . . ?
O3C S1C C24C F2C -68.8(18) . . . . ?
O2C S1C C24C F1C -66.1(16) . . . . ?
O1C S1C C24C F1C 57.3(15) . . . . ?
O3C S1C C24C F1C 175.7(13) . . . . ?
C11D C12D Ag4 O1D -107.3(3) . . . . ?
C13D C12D Ag4 O1D 134.3(4) . . . . ?
C11D C12D Ag4 C3D 5.7(7) . . . . ?
C13D C12D Ag4 C3D -112.7(8) . . . . ?
C11D C12D Ag4 C20D 156.1(3) . . . . ?
C13D C12D Ag4 C20D 37.7(3) . . . . ?
C13D C12D Ag4 C11D -118.37(7) . . . . ?
C11D C12D Ag4 C4D -2.7(5) . . . . ?
C13D C12D Ag4 C4D -121.1(5) . . . . ?
C11D C12D Ag4 C19D 160.0(2) . . . . ?
C13D C12D Ag4 C19D 41.7(3) . . . . ?
C4D C3D Ag4 O1D 96.8(11) . . . . ?
C2D C3D Ag4 O1D -144.1(11) . . . . ?
C4D C3D Ag4 C12D -15.7(15) . . . . ?
C2D C3D Ag4 C12D 103.4(11) . . . . ?
C4D C3D Ag4 C20D -171.2(11) . . . . ?
C2D C3D Ag4 C20D -52.1(11) . . . . ?
C4D C3D Ag4 C11D -12.3(12) . . . . ?
C2D C3D Ag4 C11D 106.8(11) . . . . ?
C2D C3D Ag4 C4D 119.1(17) . . . . ?
C4D C3D Ag4 C19D -167.1(10) . . . . ?
C2D C3D Ag4 C19D -48.0(12) . . . . ?
C21D C20D Ag4 O1D 151.0(4) . . . . ?
C19D C20D Ag4 O1D -90.2(4) . . . . ?
C21D C20D Ag4 C12D -111.1(4) . . . . ?
C19D C20D Ag4 C12D 7.7(4) . . . . ?
C21D C20D Ag4 C3D 54.0(5) . . . . ?
C19D C20D Ag4 C3D 172.8(4) . . . . ?
C21D C20D Ag4 C11D -84.9(7) . . . . ?
C19D C20D Ag4 C11D 33.9(7) . . . . ?
C21D C20D Ag4 C4D 49.7(5) . . . . ?
C19D C20D Ag4 C4D 168.5(5) . . . . ?
C21D C20D Ag4 C19D -118.81(7) . . . . ?
C12D C11D Ag4 O1D 77.9(3) . . . . ?
C10D C11D Ag4 O1D -165.1(4) . . . . ?
C10D C11D Ag4 C12D 116.99(10) . . . . ?
C12D C11D Ag4 C3D -176.7(4) . . . . ?
C10D C11D Ag4 C3D -59.7(4) . . . . ?
C12D C11D Ag4 C20D -43.8(6) . . . . ?
C10D C11D Ag4 C20D 73.2(6) . . . . ?
C12D C11D Ag4 C4D 177.7(4) . . . . ?
C10D C11D Ag4 C4D -65.3(4) . . . . ?
C12D C11D Ag4 C19D -23.9(3) . . . . ?
C10D C11D Ag4 C19D 93.1(3) . . . . ?
C3D C4D Ag4 O1D -87.3(11) . . . . ?
C5D C4D Ag4 O1D 146.7(10) . . . . ?
C3D C4D Ag4 C12D 170.5(9) . . . . ?
C5D C4D Ag4 C12D 44.4(11) . . . . ?
C5D C4D Ag4 C3D -126.0(16) . . . . ?
C3D C4D Ag4 C20D 9.4(12) . . . . ?
C5D C4D Ag4 C20D -116.6(10) . . . . ?
C3D C4D Ag4 C11D 169.0(11) . . . . ?
C5D C4D Ag4 C11D 43.0(10) . . . . ?
C3D C4D Ag4 C19D 18.9(15) . . . . ?
C5D C4D Ag4 C19D -107.1(12) . . . . ?
C18D C19D Ag4 O1D -152.2(4) . . . . ?
C20D C19D Ag4 O1D 91.2(4) . . . . ?
C18D C19D Ag4 C12D -57.0(3) . . . . ?
C20D C19D Ag4 C12D -173.5(3) . . . . ?
C18D C19D Ag4 C3D 108.6(5) . . . . ?
C20D C19D Ag4 C3D -7.9(5) . . . . ?
C18D C19D Ag4 C20D 116.53(10) . . . . ?
C18D C19D Ag4 C11D -44.5(3) . . . . ?
C20D C19D Ag4 C11D -161.1(3) . . . . ?
C18D C19D Ag4 C4D 99.2(7) . . . . ?
C20D C19D Ag4 C4D -17.4(7) . . . . ?
O3D S1D O1D Ag4 -20.1(13) . . . . ?
O2D S1D O1D Ag4 -150.5(9) . . . . ?
C24D S1D O1D Ag4 106.5(11) . . . . ?
C12D Ag4 O1D S1D 143.1(10) . . . . ?
C3D Ag4 O1D S1D -8.2(11) . . . . ?
C20D Ag4 O1D S1D -93.1(10) . . . . ?
C11D Ag4 O1D S1D 111.5(10) . . . . ?
C4D Ag4 O1D S1D 19.2(11) . . . . ?
C19D Ag4 O1D S1D -124.1(10) . . . . ?
O1D S1D C24D F1D 60.0(13) . . . . ?
O3D S1D C24D F1D -167.7(11) . . . . ?
O2D S1D C24D F1D -54.4(12) . . . . ?
O1D S1D C24D F2D 165.8(12) . . . . ?
O3D S1D C24D F2D -61.9(13) . . . . ?
O2D S1D C24D F2D 51.4(13) . . . . ?
O1D S1D C24D F3D -60.6(14) . . . . ?
O3D S1D C24D F3D 71.7(13) . . . . ?
O2D S1D C24D F3D -175.0(12) . . . . ?
C50 C51 C52 C55 -67(3) . . . . ?
C54 C53 C55 C52 -16(5) . . . . ?
C54 C53 C55 C51 -109(6) . . . . ?
C51 C52 C55 C53 -146(4) . . . . ?
C52 C51 C55 C53 120(6) . . . . ?
C50 C51 C55 C53 -107(6) . . . . ?
C50 C51 C55 C52 133(3) . . . . ?
