#------------------------------------------------------------------------------
#$Date: 2015-06-05 03:28:57 +0300 (Fri, 05 Jun 2015) $
#$Revision: 138071 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/29/4512909.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_4512909
loop_
_publ_author_name
'Zhang, Rui'
'Hao, Xiang'
'Li, Xiumin'
'Zhou, Zhengyang'
'Sun, Junliang'
'Cao, Rui'
_publ_section_title
;
 Soluble Silver Acetylide for the Construction and Structural Conversion
 of All-Alkynyl-Stabilized High-Nuclearity Homoleptic Silver Clusters
;
_journal_issue                   5
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2505
_journal_paper_doi               10.1021/acs.cgd.5b00286
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C264 H348 Ag20 N0 O8'
_chemical_formula_weight         5806.80
_space_group_crystal_system      tetragonal
_space_group_IT_number           82
_space_group_name_Hall           'I -4'
_space_group_name_H-M_alt        'I -4'
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   27.3816(7)
_cell_length_b                   27.3816(7)
_cell_length_c                   19.3573(6)
_cell_measurement_reflns_used    9102
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.30
_cell_measurement_theta_min      2.35
_cell_volume                     14513.2(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_av_unetI/netI     0.0936
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            44076
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.428
_diffrn_reflns_theta_min         2.352
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.360
_exptl_absorpt_correction_T_max  0.9351
_exptl_absorpt_correction_T_min  0.8220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_description       prism
_exptl_crystal_F_000             5872
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.796
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.095
_refine_ls_abs_structure_details
;
 Flack x determined using 3330 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         14870
_refine_ls_number_restraints     205
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0680P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1368
_reflns_Friedel_coverage         0.933
_reflns_friedel_fraction_full    0.997
_reflns_friedel_fraction_max     0.992
_reflns_number_gt                9137
_reflns_number_total             14870
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00286_si_005.cif
_cod_data_source_block           4_sq
_cod_depositor_comments          'Adding full bibliography for 4512909.cif.'
_cod_original_cell_volume        14513.2(9)
_cod_database_code               4512909
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.935
loop_
_space_group_symop_operation_xyz
'x, y, z'
'y, -x, -z'
'-x, -y, z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ag1 Ag 0.96492(4) 0.08435(3) 0.17922(6) 0.0507(3) Uani 1 1 d . . .
Ag2 Ag 0.91391(4) -0.02809(4) 0.17708(6) 0.0506(3) Uani 1 1 d . . .
Ag3 Ag 1.0000 0.0000 0.07926(6) 0.0378(3) Uani 1 2 d S T P
Ag4 Ag 1.0000 0.0000 0.25359(6) 0.0522(3) Uani 1 2 d S T P
Ag5 Ag 0.94586(3) -0.10804(4) 0.07925(5) 0.0447(2) Uani 1 1 d . . .
Ag6 Ag 0.88998(3) -0.03538(3) 0.00015(6) 0.0538(2) Uani 1 1 d . . .
C1 C 0.9895(4) 0.1487(5) 0.0928(7) 0.049(3) Uani 1 1 d . . .
C2 C 0.9755(4) 0.1803(4) 0.1332(7) 0.044(3) Uani 1 1 d . . .
C3 C 0.9596(4) 0.2174(4) 0.1801(8) 0.055(3) Uani 1 1 d . U .
C4 C 0.9681(5) 0.2658(5) 0.1621(9) 0.072(5) Uani 1 1 d . . .
H4A H 0.9830 0.2741 0.1194 0.087 Uiso 1 1 calc R U .
C5 C 0.9533(6) 0.3030(6) 0.2110(9) 0.080(5) Uani 1 1 d . U .
C6 C 0.9328(5) 0.2904(5) 0.2717(9) 0.079(5) Uani 1 1 d . . .
H6A H 0.9242 0.3152 0.3037 0.095 Uiso 1 1 calc R U .
C7 C 0.9242(5) 0.2428(6) 0.2880(8) 0.068(4) Uani 1 1 d . . .
C8 C 0.9385(5) 0.2050(5) 0.2426(7) 0.058(4) Uani 1 1 d . U .
H8A H 0.9338 0.1717 0.2548 0.070 Uiso 1 1 calc R U .
C9 C 0.9595(6) 0.3586(6) 0.1881(9) 0.097(5) Uani 1 1 d D U .
C10 C 0.9614(10) 0.3890(10) 0.2540(12) 0.186(11) Uani 1 1 d D U .
H10A H 0.9319 0.3831 0.2814 0.280 Uiso 1 1 calc R U .
H10B H 0.9902 0.3798 0.2811 0.280 Uiso 1 1 calc R U .
H10C H 0.9633 0.4237 0.2420 0.280 Uiso 1 1 calc R U .
C11 C 1.0041(8) 0.3663(9) 0.1441(13) 0.177(11) Uani 1 1 d D U .
H11A H 1.0333 0.3564 0.1699 0.266 Uiso 1 1 calc R U .
H11B H 1.0015 0.3467 0.1019 0.266 Uiso 1 1 calc R U .
H11C H 1.0067 0.4009 0.1317 0.266 Uiso 1 1 calc R U .
C12 C 0.9149(8) 0.3740(8) 0.1475(11) 0.159(9) Uani 1 1 d D U .
H12A H 0.8856 0.3691 0.1758 0.238 Uiso 1 1 calc R U .
H12B H 0.9177 0.4086 0.1352 0.238 Uiso 1 1 calc R U .
H12C H 0.9124 0.3543 0.1054 0.238 Uiso 1 1 calc R U .
C13 C 0.8989(6) 0.2271(6) 0.3533(9) 0.096(6) Uani 1 1 d D . .
C14 C 0.8972(7) 0.2676(7) 0.4078(9) 0.120(7) Uani 1 1 d D U .
H14A H 0.8805 0.2556 0.4491 0.180 Uiso 1 1 calc R U .
H14B H 0.9306 0.2773 0.4199 0.180 Uiso 1 1 calc R U .
H14C H 0.8796 0.2959 0.3892 0.180 Uiso 1 1 calc R U .
C15 C 0.9249(7) 0.1822(6) 0.3876(7) 0.099(6) Uani 1 1 d D . .
H15A H 0.9075 0.1731 0.4299 0.148 Uiso 1 1 calc R U .
H15B H 0.9248 0.1546 0.3554 0.148 Uiso 1 1 calc R U .
H15C H 0.9587 0.1909 0.3990 0.148 Uiso 1 1 calc R U .
C16 C 0.8457(5) 0.2104(6) 0.3346(9) 0.094(5) Uani 1 1 d D . .
H16A H 0.8286 0.2001 0.3767 0.141 Uiso 1 1 calc R U .
H16B H 0.8280 0.2377 0.3134 0.141 Uiso 1 1 calc R U .
H16C H 0.8471 0.1831 0.3020 0.141 Uiso 1 1 calc R U .
C17 C 0.9314(4) 0.0329(4) 0.0810(7) 0.042(3) Uani 1 1 d . . .
C18 C 0.8914(4) 0.0536(4) 0.0817(6) 0.032(2) Uani 1 1 d . . .
C19 C 0.8453(4) 0.0791(4) 0.0858(7) 0.049(3) Uani 1 1 d . . .
C20 C 0.8435(4) 0.1293(4) 0.0843(6) 0.038(3) Uani 1 1 d . . .
H20A H 0.8729 0.1477 0.0814 0.046 Uiso 1 1 calc R U .
C21 C 0.7992(4) 0.1529(4) 0.0869(6) 0.044(3) Uani 1 1 d . . .
C22 C 0.7573(5) 0.1260(5) 0.0915(7) 0.059(4) Uani 1 1 d . . .
H22A H 0.7269 0.1427 0.0933 0.071 Uiso 1 1 calc R U .
C23 C 0.7573(4) 0.0745(5) 0.0938(8) 0.063(4) Uani 1 1 d . . .
C24 C 0.8032(4) 0.0515(4) 0.0923(7) 0.056(4) Uani 1 1 d . . .
H24A H 0.8053 0.0170 0.0957 0.067 Uiso 1 1 calc R U .
C25 C 0.7955(4) 0.2097(4) 0.0834(7) 0.056(3) Uani 1 1 d D . .
C26 C 0.7679(7) 0.2275(6) 0.1473(8) 0.095(5) Uani 1 1 d D U .
H26A H 0.7360 0.2113 0.1496 0.142 Uiso 1 1 calc R U .
H26B H 0.7868 0.2196 0.1889 0.142 Uiso 1 1 calc R U .
H26C H 0.7632 0.2629 0.1445 0.142 Uiso 1 1 calc R U .
C27 C 0.8451(5) 0.2335(5) 0.0770(10) 0.094(6) Uani 1 1 d D . .
H27A H 0.8650 0.2250 0.1174 0.141 Uiso 1 1 calc R U .
H27B H 0.8613 0.2218 0.0350 0.141 Uiso 1 1 calc R U .
H27C H 0.8412 0.2690 0.0745 0.141 Uiso 1 1 calc R U .
C28 C 0.7665(5) 0.2241(4) 0.0195(6) 0.065(4) Uani 1 1 d D . .
H28A H 0.7340 0.2094 0.0217 0.097 Uiso 1 1 calc R U .
H28B H 0.7635 0.2598 0.0176 0.097 Uiso 1 1 calc R U .
H28C H 0.7835 0.2125 -0.0219 0.097 Uiso 1 1 calc R U .
C29 C 0.7115(5) 0.0438(6) 0.0996(7) 0.074(4) Uani 1 1 d D U .
C30 C 0.6649(6) 0.0758(7) 0.0888(12) 0.126(7) Uani 1 1 d D U .
H30A H 0.6667 0.0920 0.0437 0.188 Uiso 1 1 calc R U .
H30B H 0.6358 0.0550 0.0905 0.188 Uiso 1 1 calc R U .
H30C H 0.6630 0.1005 0.1253 0.188 Uiso 1 1 calc R U .
C31 C 0.7109(6) 0.0180(6) 0.1682(8) 0.093(5) Uani 1 1 d D U .
H31A H 0.6812 -0.0018 0.1718 0.139 Uiso 1 1 calc R U .
H31B H 0.7396 -0.0032 0.1718 0.139 Uiso 1 1 calc R U .
H31C H 0.7115 0.0422 0.2055 0.139 Uiso 1 1 calc R U .
C32 C 0.7104(7) 0.0042(7) 0.0428(9) 0.111(6) Uani 1 1 d D U .
H32A H 0.7107 0.0198 -0.0027 0.166 Uiso 1 1 calc R U .
H32B H 0.7390 -0.0170 0.0475 0.166 Uiso 1 1 calc R U .
H32C H 0.6806 -0.0154 0.0477 0.166 Uiso 1 1 calc R U .
C33 C 0.8731(4) -0.0823(4) 0.0905(6) 0.042(3) Uani 1 1 d . . .
C34 C 0.8369(4) -0.0884(4) 0.1246(6) 0.038(3) Uani 1 1 d . . .
C35 C 0.7947(4) -0.0975(4) 0.1689(6) 0.044(3) Uani 1 1 d . . .
C36 C 0.7980(5) -0.0866(4) 0.2379(6) 0.053(4) Uani 1 1 d . . .
H36A H 0.8261 -0.0712 0.2566 0.063 Uiso 1 1 calc R U .
C37 C 0.7577(7) -0.0991(5) 0.2804(7) 0.070(5) Uani 1 1 d . . .
C38 C 0.7167(6) -0.1185(5) 0.2496(8) 0.071(4) Uani 1 1 d . . .
H38A H 0.6898 -0.1263 0.2785 0.085 Uiso 1 1 calc R U .
C39 C 0.7123(5) -0.1268(5) 0.1841(9) 0.071(4) Uani 1 1 d . . .
C40 C 0.7529(5) -0.1153(5) 0.1414(8) 0.063(4) Uani 1 1 d . . .
H40A H 0.7506 -0.1200 0.0929 0.076 Uiso 1 1 calc R U .
C41 C 0.7622(7) -0.0918(7) 0.3598(9) 0.099(6) Uani 1 1 d D U .
C42 C 0.7637(10) -0.0417(8) 0.3795(14) 0.180(9) Uani 1 1 d D U .
H42A H 0.7382 -0.0237 0.3549 0.271 Uiso 1 1 calc R U .
H42B H 0.7583 -0.0390 0.4294 0.271 Uiso 1 1 calc R U .
H42C H 0.7957 -0.0280 0.3678 0.271 Uiso 1 1 calc R U .
C43 C 0.7129(9) -0.1094(10) 0.3943(14) 0.196(10) Uani 1 1 d D U .
H43A H 0.7078 -0.1441 0.3841 0.294 Uiso 1 1 calc R U .
H43B H 0.7148 -0.1047 0.4444 0.294 Uiso 1 1 calc R U .
H43C H 0.6856 -0.0903 0.3757 0.294 Uiso 1 1 calc R U .
C44 C 0.7968(9) -0.1264(9) 0.3896(12) 0.158(9) Uani 1 1 d D U .
H44A H 0.7908 -0.1590 0.3706 0.237 Uiso 1 1 calc R U .
H44B H 0.8302 -0.1162 0.3783 0.237 Uiso 1 1 calc R U .
H44C H 0.7928 -0.1272 0.4399 0.237 Uiso 1 1 calc R U .
C45 C 0.6648(6) -0.1496(6) 0.1540(9) 0.093(5) Uani 1 1 d D U .
C46 C 0.6225(14) -0.1373(16) 0.198(2) 0.35(3) Uani 1 1 d D U .
H46A H 0.6287 -0.1486 0.2455 0.530 Uiso 1 1 calc R U .
H46B H 0.6178 -0.1018 0.1985 0.530 Uiso 1 1 calc R U .
H46C H 0.5931 -0.1532 0.1802 0.530 Uiso 1 1 calc R U .
C47 C 0.6726(9) -0.2044(7) 0.1521(11) 0.150(8) Uani 1 1 d D U .
H47A H 0.7007 -0.2120 0.1226 0.226 Uiso 1 1 calc R U .
H47B H 0.6788 -0.2164 0.1990 0.226 Uiso 1 1 calc R U .
H47C H 0.6434 -0.2203 0.1335 0.226 Uiso 1 1 calc R U .
C48 C 0.6567(8) -0.1329(8) 0.0818(11) 0.153(8) Uani 1 1 d D U .
H48A H 0.6850 -0.1414 0.0534 0.229 Uiso 1 1 calc R U .
H48B H 0.6275 -0.1488 0.0630 0.229 Uiso 1 1 calc R U .
H48C H 0.6521 -0.0974 0.0814 0.229 Uiso 1 1 calc R U .
C49 C 0.9681(4) -0.0686(4) 0.2526(7) 0.051(3) Uani 1 1 d . . .
C50 C 0.9502(4) -0.1071(4) 0.2688(5) 0.032(2) Uani 1 1 d . . .
C51 C 0.9291(4) -0.1542(5) 0.2863(7) 0.050(3) Uani 1 1 d . . .
C52 C 0.9319(4) -0.1713(5) 0.3531(6) 0.052(3) Uani 1 1 d . . .
H52A H 0.9477 -0.1525 0.3878 0.062 Uiso 1 1 calc R U .
C53 C 0.9117(4) -0.2157(5) 0.3691(7) 0.062(4) Uani 1 1 d . . .
C54 C 0.8902(4) -0.2426(5) 0.3176(8) 0.063(4) Uani 1 1 d . . .
H54A H 0.8769 -0.2737 0.3284 0.076 Uiso 1 1 calc R U .
C55 C 0.8874(5) -0.2258(5) 0.2510(7) 0.054(3) Uani 1 1 d . . .
C56 C 0.9062(4) -0.1807(4) 0.2349(7) 0.047(3) Uani 1 1 d . . .
H56A H 0.9034 -0.1680 0.1894 0.057 Uiso 1 1 calc R U .
C57 C 0.9143(6) -0.2370(7) 0.4438(9) 0.101(6) Uani 1 1 d D U .
C58 C 0.8624(7) -0.2444(10) 0.4669(11) 0.161(9) Uani 1 1 d D U .
H58A H 0.8448 -0.2132 0.4647 0.241 Uiso 1 1 calc R U .
H58B H 0.8464 -0.2681 0.4366 0.241 Uiso 1 1 calc R U .
H58C H 0.8621 -0.2566 0.5145 0.241 Uiso 1 1 calc R U .
C59 C 0.9358(9) -0.2001(8) 0.4955(13) 0.168(8) Uani 1 1 d D U .
H59A H 0.9161 -0.1702 0.4950 0.252 Uiso 1 1 calc R U .
H59B H 0.9353 -0.2143 0.5420 0.252 Uiso 1 1 calc R U .
H59C H 0.9695 -0.1924 0.4824 0.252 Uiso 1 1 calc R U .
C60 C 0.9441(9) -0.2818(8) 0.4450(12) 0.161(9) Uani 1 1 d D U .
H60A H 0.9773 -0.2742 0.4294 0.242 Uiso 1 1 calc R U .
H60B H 0.9453 -0.2947 0.4922 0.242 Uiso 1 1 calc R U .
H60C H 0.9296 -0.3062 0.4143 0.242 Uiso 1 1 calc R U .
C61 C 0.8624(5) -0.2554(5) 0.1928(8) 0.072(4) Uani 1 1 d D U .
C62 C 0.8593(8) -0.3103(6) 0.2108(11) 0.134(7) Uani 1 1 d D U .
H62A H 0.8431 -0.3143 0.2556 0.201 Uiso 1 1 calc R U .
H62B H 0.8405 -0.3274 0.1751 0.201 Uiso 1 1 calc R U .
H62C H 0.8923 -0.3241 0.2131 0.201 Uiso 1 1 calc R U .
C63 C 0.8875(7) -0.2494(7) 0.1235(9) 0.115(7) Uani 1 1 d D U .
H63A H 0.8895 -0.2146 0.1119 0.173 Uiso 1 1 calc R U .
H63B H 0.9204 -0.2632 0.1258 0.173 Uiso 1 1 calc R U .
H63C H 0.8686 -0.2665 0.0878 0.173 Uiso 1 1 calc R U .
C64 C 0.8100(5) -0.2350(6) 0.1835(8) 0.090(5) Uani 1 1 d D . .
H64A H 0.7921 -0.2380 0.2271 0.136 Uiso 1 1 calc R U .
H64B H 0.8117 -0.2005 0.1701 0.136 Uiso 1 1 calc R U .
H64C H 0.7930 -0.2536 0.1475 0.136 Uiso 1 1 calc R U .
C65 C 0.8620(6) 0.0598(6) 0.2539(7) 0.061(4) Uani 1 1 d . . .
O1 O 0.8623(3) 0.0159(4) 0.2404(5) 0.064(2) Uani 1 1 d . . .
O2 O 0.8956(4) 0.0906(3) 0.2454(5) 0.070(3) Uani 1 1 d . . .
C66 C 0.8158(6) 0.0800(6) 0.2876(8) 0.085(5) Uani 1 1 d . . .
H66A H 0.8198 0.1151 0.2959 0.128 Uiso 1 1 calc R U .
H66B H 0.7879 0.0747 0.2570 0.128 Uiso 1 1 calc R U .
H66C H 0.8102 0.0633 0.3317 0.128 Uiso 1 1 calc R U .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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
O2 Ag1 C49 108.7(4) . 3_755
O2 Ag1 C1 122.6(4) . .
C49 Ag1 C1 108.6(4) 3_755 .
O2 Ag1 C17 99.2(3) . .
C49 Ag1 C17 129.1(4) 3_755 .
C1 Ag1 C17 89.3(4) . .
O2 Ag1 Ag4 93.3(3) . .
C49 Ag1 Ag4 45.2(3) 3_755 .
C1 Ag1 Ag4 143.3(3) . .
C17 Ag1 Ag4 92.8(2) . .
O2 Ag1 Ag3 130.3(2) . .
C49 Ag1 Ag3 89.9(3) 3_755 .
C1 Ag1 Ag3 91.3(3) . .
C17 Ag1 Ag3 41.1(2) . .
Ag4 Ag1 Ag3 67.65(3) . .
O2 Ag1 Ag5 163.4(3) . 3_755
C49 Ag1 Ag5 78.8(3) 3_755 3_755
C1 Ag1 Ag5 41.4(3) . 3_755
C17 Ag1 Ag5 86.3(3) . 3_755
Ag4 Ag1 Ag5 102.18(4) . 3_755
Ag3 Ag1 Ag5 62.86(3) . 3_755
O1 Ag2 C49 108.2(4) . .
O1 Ag2 C33 114.0(4) . .
C49 Ag2 C33 114.6(4) . .
O1 Ag2 C17 99.6(4) . .
C49 Ag2 C17 130.0(4) . .
C33 Ag2 C17 89.0(4) . .
O1 Ag2 Ag4 95.3(2) . .
C49 Ag2 Ag4 45.1(3) . .
C33 Ag2 Ag4 150.0(3) . .
C17 Ag2 Ag4 92.7(3) . .
O1 Ag2 Ag5 157.0(2) . .
C49 Ag2 Ag5 82.3(3) . .
C33 Ag2 Ag5 44.0(3) . .
C17 Ag2 Ag5 87.9(3) . .
Ag4 Ag2 Ag5 106.13(4) . .
O1 Ag2 Ag3 132.9(2) . .
C49 Ag2 Ag3 91.0(3) . .
C33 Ag2 Ag3 94.4(3) . .
C17 Ag2 Ag3 41.6(2) . .
Ag4 Ag2 Ag3 68.22(3) . .
Ag5 Ag2 Ag3 65.16(3) . .
C17 Ag3 C17 178.2(7) 3_755 .
C17 Ag3 Ag3 90.9(4) 3_755 2_665
C17 Ag3 Ag3 90.9(4) . 2_665
C17 Ag3 Ag2 124.4(3) 3_755 .
C17 Ag3 Ag2 54.2(3) . .
Ag3 Ag3 Ag2 127.37(2) 2_665 .
C17 Ag3 Ag2 54.2(3) 3_755 3_755
C17 Ag3 Ag2 124.4(3) . 3_755
Ag3 Ag3 Ag2 127.37(2) 2_665 3_755
Ag2 Ag3 Ag2 105.27(5) . 3_755
C17 Ag3 Ag1 125.4(3) 3_755 .
C17 Ag3 Ag1 53.2(3) . .
Ag3 Ag3 Ag1 127.72(3) 2_665 .
Ag2 Ag3 Ag1 65.12(3) . .
Ag2 Ag3 Ag1 71.22(3) 3_755 .
C17 Ag3 Ag1 53.2(3) 3_755 3_755
C17 Ag3 Ag1 125.4(3) . 3_755
Ag3 Ag3 Ag1 127.72(3) 2_665 3_755
Ag2 Ag3 Ag1 71.22(3) . 3_755
Ag2 Ag3 Ag1 65.12(3) 3_755 3_755
Ag1 Ag3 Ag1 104.55(5) . 3_755
C17 Ag3 Ag5 89.0(3) 3_755 3_755
C17 Ag3 Ag5 91.0(3) . 3_755
Ag3 Ag3 Ag5 90.00(3) 2_665 3_755
Ag2 Ag3 Ag5 123.98(3) . 3_755
Ag2 Ag3 Ag5 56.02(2) 3_755 3_755
Ag1 Ag3 Ag5 58.88(2) . 3_755
Ag1 Ag3 Ag5 121.13(3) 3_755 3_755
C17 Ag3 Ag5 91.0(3) 3_755 .
C17 Ag3 Ag5 89.0(3) . .
Ag3 Ag3 Ag5 90.00(3) 2_665 .
Ag2 Ag3 Ag5 56.02(2) . .
Ag2 Ag3 Ag5 123.98(3) 3_755 .
Ag1 Ag3 Ag5 121.13(3) . .
Ag1 Ag3 Ag5 58.88(2) 3_755 .
Ag5 Ag3 Ag5 179.99(5) 3_755 .
C17 Ag3 Ag4 89.1(4) 3_755 .
C17 Ag3 Ag4 89.1(4) . .
Ag3 Ag3 Ag4 180.0 2_665 .
Ag2 Ag3 Ag4 52.63(2) . .
Ag2 Ag3 Ag4 52.63(2) 3_755 .
Ag1 Ag3 Ag4 52.28(3) . .
Ag1 Ag3 Ag4 52.28(3) 3_755 .
Ag5 Ag3 Ag4 90.00(3) 3_755 .
Ag5 Ag3 Ag4 90.00(3) . .
C49 Ag4 C49 178.9(7) 3_755 .
C49 Ag4 Ag1 53.8(3) 3_755 .
C49 Ag4 Ag1 125.5(3) . .
C49 Ag4 Ag1 125.5(3) 3_755 3_755
C49 Ag4 Ag1 53.8(3) . 3_755
Ag1 Ag4 Ag1 120.16(6) . 3_755
C49 Ag4 Ag2 125.5(3) 3_755 .
C49 Ag4 Ag2 53.8(3) . .
Ag1 Ag4 Ag2 71.69(3) . .
Ag1 Ag4 Ag2 78.62(4) 3_755 .
C49 Ag4 Ag2 53.8(3) 3_755 3_755
C49 Ag4 Ag2 125.5(3) . 3_755
Ag1 Ag4 Ag2 78.62(4) . 3_755
Ag1 Ag4 Ag2 71.68(3) 3_755 3_755
Ag2 Ag4 Ag2 118.30(6) . 3_755
C49 Ag4 Ag3 89.5(4) 3_755 .
C49 Ag4 Ag3 89.5(4) . .
Ag1 Ag4 Ag3 60.08(3) . .
Ag1 Ag4 Ag3 60.08(3) 3_755 .
Ag2 Ag4 Ag3 59.15(3) . .
Ag2 Ag4 Ag3 59.15(3) 3_755 .
C1 Ag5 C33 161.8(5) 3_755 .
C1 Ag5 Ag6 49.1(3) 3_755 4_645
C33 Ag5 Ag6 148.8(3) . 4_645
C1 Ag5 Ag6 149.3(3) 3_755 .
C33 Ag5 Ag6 48.8(3) . .
Ag6 Ag5 Ag6 100.18(4) 4_645 .
C1 Ag5 Ag2 123.2(3) 3_755 .
C33 Ag5 Ag2 54.9(3) . .
Ag6 Ag5 Ag2 126.24(4) 4_645 .
Ag6 Ag5 Ag2 71.68(4) . .
C1 Ag5 Ag1 52.2(3) 3_755 3_755
C33 Ag5 Ag1 126.2(3) . 3_755
Ag6 Ag5 Ag1 71.13(4) 4_645 3_755
Ag6 Ag5 Ag1 125.31(4) . 3_755
Ag2 Ag5 Ag1 72.17(3) . 3_755
C1 Ag5 Ag3 95.5(3) 3_755 .
C33 Ag5 Ag3 97.1(3) . .
Ag6 Ag5 Ag3 68.73(3) 4_645 .
Ag6 Ag5 Ag3 68.17(3) . .
Ag2 Ag5 Ag3 58.82(3) . .
Ag1 Ag5 Ag3 58.26(3) 3_755 .
C1 Ag6 C33 136.4(5) 4_645 .
C1 Ag6 C17 117.7(4) 4_645 .
C33 Ag6 C17 91.8(4) . .
C1 Ag6 Ag5 46.5(3) 4_645 2_665
C33 Ag6 Ag5 155.9(3) . 2_665
C17 Ag6 Ag5 73.3(2) . 2_665
C1 Ag6 Ag5 152.6(3) 4_645 .
C33 Ag6 Ag5 46.1(3) . .
C17 Ag6 Ag5 87.0(2) . .
Ag5 Ag6 Ag5 147.15(5) 2_665 .
C2 C1 Ag5 135.6(10) . 3_755
C2 C1 Ag6 139.9(10) . 2_665
Ag5 C1 Ag6 84.5(5) 3_755 2_665
C2 C1 Ag1 89.2(9) . .
Ag5 C1 Ag1 86.4(4) 3_755 .
Ag6 C1 Ag1 97.1(4) 2_665 .
C1 C2 C3 179.4(14) . .
C8 C3 C4 121.5(13) . .
C8 C3 C2 120.6(12) . .
C4 C3 C2 117.8(13) . .
C3 C4 C5 117.4(15) . .
C3 C4 H4A 121.3 . .
C5 C4 H4A 121.3 . .
C6 C5 C4 120.4(15) . .
C6 C5 C9 122.1(15) . .
C4 C5 C9 117.4(15) . .
C5 C6 C7 121.3(15) . .
C5 C6 H6A 119.3 . .
C7 C6 H6A 119.3 . .
C6 C7 C8 120.6(16) . .
C6 C7 C13 123.2(14) . .
C8 C7 C13 116.2(16) . .
C3 C8 C7 118.7(14) . .
C3 C8 H8A 120.6 . .
C7 C8 H8A 120.6 . .
C11 C9 C12 108.8(17) . .
C11 C9 C10 111.7(18) . .
C12 C9 C10 108.0(17) . .
C11 C9 C5 112.2(16) . .
C12 C9 C5 108.9(15) . .
C10 C9 C5 107.0(17) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C7 C13 C14 112.7(16) . .
C7 C13 C15 111.7(13) . .
C14 C13 C15 106.9(13) . .
C7 C13 C16 108.5(12) . .
C14 C13 C16 110.0(14) . .
C15 C13 C16 106.9(14) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 Ag3 178.2(9) . .
C18 C17 Ag1 93.2(8) . .
Ag3 C17 Ag1 85.7(4) . .
C18 C17 Ag2 97.3(8) . .
Ag3 C17 Ag2 84.1(4) . .
Ag1 C17 Ag2 83.4(4) . .
C18 C17 Ag6 87.3(8) . .
Ag3 C17 Ag6 94.1(4) . .
Ag1 C17 Ag6 167.0(5) . .
Ag2 C17 Ag6 83.7(3) . .
C17 C18 C19 177.2(13) . .
C20 C19 C24 121.1(10) . .
C20 C19 C18 120.8(10) . .
C24 C19 C18 118.1(10) . .
C21 C20 C19 120.0(11) . .
C21 C20 H20A 120.0 . .
C19 C20 H20A 120.0 . .
C22 C21 C20 119.3(11) . .
C22 C21 C25 119.1(10) . .
C20 C21 C25 121.6(11) . .
C21 C22 C23 122.7(11) . .
C21 C22 H22A 118.6 . .
C23 C22 H22A 118.6 . .
C24 C23 C22 116.5(11) . .
C24 C23 C29 119.7(12) . .
C22 C23 C29 123.8(11) . .
C19 C24 C23 120.2(11) . .
C19 C24 H24A 119.9 . .
C23 C24 H24A 119.9 . .
C27 C25 C28 106.9(12) . .
C27 C25 C26 112.0(13) . .
C28 C25 C26 108.5(11) . .
C27 C25 C21 112.0(10) . .
C28 C25 C21 109.1(10) . .
C26 C25 C21 108.3(11) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C31 C29 C23 109.6(12) . .
C31 C29 C32 107.3(13) . .
C23 C29 C32 110.7(12) . .
C31 C29 C30 111.9(13) . .
C23 C29 C30 110.9(13) . .
C32 C29 C30 106.4(14) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 Ag5 141.6(10) . .
C34 C33 Ag6 133.2(10) . .
Ag5 C33 Ag6 85.2(4) . .
C34 C33 Ag2 94.8(8) . .
Ag5 C33 Ag2 81.1(4) . .
Ag6 C33 Ag2 95.2(4) . .
C33 C34 C35 176.4(13) . .
C40 C35 C36 121.1(12) . .
C40 C35 C34 119.9(12) . .
C36 C35 C34 118.9(11) . .
C35 C36 C37 117.4(13) . .
C35 C36 H36A 121.3 . .
C37 C36 H36A 121.3 . .
C38 C37 C36 118.5(13) . .
C38 C37 C41 122.8(15) . .
C36 C37 C41 118.6(15) . .
C39 C38 C37 124.6(14) . .
C39 C38 H38A 117.7 . .
C37 C38 H38A 117.7 . .
C38 C39 C40 117.3(14) . .
C38 C39 C45 121.1(13) . .
C40 C39 C45 121.6(14) . .
C35 C40 C39 120.8(13) . .
C35 C40 H40A 119.6 . .
C39 C40 H40A 119.6 . .
C42 C41 C44 120(2) . .
C42 C41 C37 113.1(18) . .
C44 C41 C37 111.0(17) . .
C42 C41 C43 101.8(17) . .
C44 C41 C43 100.9(17) . .
C37 C41 C43 108.1(17) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C46 C45 C48 111(2) . .
C46 C45 C47 111(2) . .
C48 C45 C47 107.7(16) . .
C46 C45 C39 110(2) . .
C48 C45 C39 110.7(15) . .
C47 C45 C39 106.8(15) . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C45 C47 H47A 109.5 . .
C45 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C45 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C45 C48 H48A 109.5 . .
C45 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C45 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C50 C49 Ag4 164.4(11) . .
C50 C49 Ag1 108.3(9) . 3_755
Ag4 C49 Ag1 81.0(4) . 3_755
C50 C49 Ag2 108.5(9) . .
Ag4 C49 Ag2 81.0(4) . .
Ag1 C49 Ag2 101.6(5) 3_755 .
C49 C50 C51 178.2(12) . .
C52 C51 C56 121.4(12) . .
C52 C51 C50 120.0(12) . .
C56 C51 C50 118.6(12) . .
C53 C52 C51 119.5(12) . .
C53 C52 H52A 120.3 . .
C51 C52 H52A 120.3 . .
C52 C53 C54 119.1(11) . .
C52 C53 C57 121.5(14) . .
C54 C53 C57 119.5(13) . .
C53 C54 C55 121.7(12) . .
C53 C54 H54A 119.1 . .
C55 C54 H54A 119.1 . .
C56 C55 C54 119.6(12) . .
C56 C55 C61 118.2(12) . .
C54 C55 C61 122.2(12) . .
C55 C56 C51 118.6(12) . .
C55 C56 H56A 120.7 . .
C51 C56 H56A 120.7 . .
C60 C57 C58 114.0(18) . .
C60 C57 C59 108.9(17) . .
C58 C57 C59 104.8(17) . .
C60 C57 C53 110.6(15) . .
C58 C57 C53 106.4(14) . .
C59 C57 C53 112.0(16) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C57 C59 H59A 109.5 . .
C57 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C57 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C57 C60 H60A 109.5 . .
C57 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C57 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C63 C61 C62 109.3(14) . .
C63 C61 C55 112.8(12) . .
C62 C61 C55 111.7(13) . .
C63 C61 C64 106.1(13) . .
C62 C61 C64 109.0(12) . .
C55 C61 C64 107.8(12) . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C61 C64 H64A 109.5 . .
C61 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C61 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O1 C65 O2 128.6(15) . .
O1 C65 C66 116.8(13) . .
O2 C65 C66 114.6(13) . .
C65 O1 Ag2 130.5(10) . .
C65 O2 Ag1 128.7(9) . .
C65 C66 H66A 109.5 . .
C65 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C65 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O2 2.298(9) .
Ag1 C49 2.359(12) 3_755
Ag1 C1 2.521(12) .
Ag1 C17 2.539(12) .
Ag1 Ag4 2.8860(12) .
Ag1 Ag3 3.1624(12) .
Ag1 Ag5 3.1832(15) 3_755
Ag2 O1 2.226(9) .
Ag2 C49 2.360(12) .
Ag2 C33 2.503(11) .
Ag2 C17 2.545(11) .
Ag2 Ag4 2.8882(12) .
Ag2 Ag5 3.0238(14) .
Ag2 Ag3 3.1198(12) .
Ag3 C17 2.084(11) 3_755
Ag3 C17 2.084(11) .
Ag3 Ag3 3.069(2) 2_665
Ag3 Ag2 3.1199(12) 3_755
Ag3 Ag1 3.1624(12) 3_755
Ag3 Ag5 3.3089(10) 3_755
Ag3 Ag5 3.3090(10) .
Ag3 Ag4 3.3745(16) .
Ag4 C49 2.073(12) 3_755
Ag4 C49 2.073(12) .
Ag4 Ag1 2.8861(12) 3_755
Ag4 Ag2 2.8883(12) 3_755
Ag5 C1 2.107(13) 3_755
Ag5 C33 2.126(11) .
Ag5 Ag6 2.8937(13) 4_645
Ag5 Ag6 2.9402(13) .
Ag5 Ag1 3.1833(15) 3_755
Ag6 C1 2.196(13) 4_645
Ag6 C33 2.219(12) .
Ag6 C17 2.688(11) .
Ag6 Ag5 2.8936(13) 2_665
C1 C2 1.227(16) .
C1 Ag5 2.107(13) 3_755
C1 Ag6 2.196(13) 2_665
C2 C3 1.430(18) .
C3 C8 1.382(19) .
C3 C4 1.390(17) .
C4 C5 1.449(19) .
C4 H4A 0.9500 .
C5 C6 1.35(2) .
C5 C9 1.59(2) .
C6 C7 1.36(2) .
C6 H6A 0.9500 .
C7 C8 1.414(18) .
C7 C13 1.50(2) .
C8 H8A 0.9500 .
C9 C11 1.504(19) .
C9 C12 1.513(19) .
C9 C10 1.53(2) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.530(17) .
C13 C15 1.569(17) .
C13 C16 1.571(18) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.232(14) .
C18 C19 1.446(15) .
C19 C20 1.377(15) .
C19 C24 1.383(16) .
C20 C21 1.375(14) .
C20 H20A 0.9500 .
C21 C22 1.367(17) .
C21 C25 1.560(16) .
C22 C23 1.411(17) .
C22 H22A 0.9500 .
C23 C24 1.405(15) .
C23 C29 1.514(19) .
C24 H24A 0.9500 .
C25 C27 1.511(16) .
C25 C28 1.522(15) .
C25 C26 1.530(16) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 C31 1.503(16) .
C29 C32 1.544(18) .
C29 C30 1.560(17) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.202(14) .
C34 C35 1.460(16) .
C35 C40 1.353(17) .
C35 C36 1.372(16) .
C36 C37 1.418(19) .
C36 H36A 0.9500 .
C37 C38 1.38(2) .
C37 C41 1.55(2) .
C38 C39 1.29(2) .
C38 H38A 0.9500 .
C39 C40 1.422(17) .
C39 C45 1.56(2) .
C40 H40A 0.9500 .
C41 C42 1.42(2) .
C41 C44 1.46(2) .
C41 C43 1.58(2) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C46 1.48(2) .
C45 C48 1.487(18) .
C45 C47 1.516(19) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C50 1.204(15) .
C49 Ag1 2.360(12) 3_755
C50 C51 1.451(16) .
C51 C52 1.377(17) .
C51 C56 1.384(17) .
C52 C53 1.371(17) .
C52 H52A 0.9500 .
C53 C54 1.372(19) .
C53 C57 1.56(2) .
C54 C55 1.373(17) .
C54 H54A 0.9500 .
C55 C56 1.372(16) .
C55 C61 1.547(18) .
C56 H56A 0.9500 .
C57 C60 1.473(19) .
C57 C58 1.505(19) .
C57 C59 1.54(2) .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C63 1.516(17) .
C61 C62 1.546(17) .
C61 C64 1.552(17) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 O1 1.228(16) .
C65 O2 1.259(16) .
C65 C66 1.53(2) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C8 C3 C4 C5 -1(2)
C2 C3 C4 C5 -178.0(12)
C3 C4 C5 C6 1(2)
C3 C4 C5 C9 -175.7(13)
C4 C5 C6 C7 -2(2)
C9 C5 C6 C7 174.6(14)
C5 C6 C7 C8 3(2)
C5 C6 C7 C13 -176.5(14)
C4 C3 C8 C7 1.8(19)
C2 C3 C8 C7 178.7(11)
C6 C7 C8 C3 -3(2)
C13 C7 C8 C3 176.6(12)
C6 C5 C9 C11 148.3(18)
C4 C5 C9 C11 -35(2)
C6 C5 C9 C12 -91(2)
C4 C5 C9 C12 85.5(19)
C6 C5 C9 C10 25(2)
C4 C5 C9 C10 -158.0(16)
C6 C7 C13 C14 -17(2)
C8 C7 C13 C14 164.3(13)
C6 C7 C13 C15 -136.9(15)
C8 C7 C13 C15 43.9(18)
C6 C7 C13 C16 105.6(16)
C8 C7 C13 C16 -73.6(15)
C24 C19 C20 C21 -2(2)
C18 C19 C20 C21 178.8(11)
C19 C20 C21 C22 0.4(19)
C19 C20 C21 C25 -178.4(11)
C20 C21 C22 C23 0(2)
C25 C21 C22 C23 178.9(13)
C21 C22 C23 C24 1(2)
C21 C22 C23 C29 179.3(13)
C20 C19 C24 C23 3(2)
C18 C19 C24 C23 -177.6(13)
C22 C23 C24 C19 -3(2)
C29 C23 C24 C19 178.9(13)
C22 C21 C25 C27 -178.8(13)
C20 C21 C25 C27 0.0(18)
C22 C21 C25 C28 -60.7(15)
C20 C21 C25 C28 118.2(13)
C22 C21 C25 C26 57.2(16)
C20 C21 C25 C26 -123.9(13)
C24 C23 C29 C31 64.8(18)
C22 C23 C29 C31 -113.4(16)
C24 C23 C29 C32 -53.4(19)
C22 C23 C29 C32 128.5(16)
C24 C23 C29 C30 -171.1(15)
C22 C23 C29 C30 11(2)
C40 C35 C36 C37 6.2(19)
C34 C35 C36 C37 -175.7(11)
C35 C36 C37 C38 -4(2)
C35 C36 C37 C41 174.2(13)
C36 C37 C38 C39 1(2)
C41 C37 C38 C39 -177.3(16)
C37 C38 C39 C40 0(2)
C37 C38 C39 C45 179.0(15)
C36 C35 C40 C39 -5(2)
C34 C35 C40 C39 176.8(12)
C38 C39 C40 C35 2(2)
C45 C39 C40 C35 -176.9(13)
C38 C37 C41 C42 -113(2)
C36 C37 C41 C42 69(2)
C38 C37 C41 C44 109(2)
C36 C37 C41 C44 -69(2)
C38 C37 C41 C43 -1(2)
C36 C37 C41 C43 -179.0(16)
C38 C39 C45 C46 28(3)
C40 C39 C45 C46 -154(2)
C38 C39 C45 C48 150.5(16)
C40 C39 C45 C48 -31(2)
C38 C39 C45 C47 -92.4(18)
C40 C39 C45 C47 86.1(19)
C56 C51 C52 C53 0(2)
C50 C51 C52 C53 179.8(12)
C51 C52 C53 C54 2(2)
C51 C52 C53 C57 179.4(13)
C52 C53 C54 C55 -1(2)
C57 C53 C54 C55 -179.3(13)
C53 C54 C55 C56 -1(2)
C53 C54 C55 C61 -178.8(13)
C54 C55 C56 C51 2.4(19)
C61 C55 C56 C51 -179.3(11)
C52 C51 C56 C55 -2.3(19)
C50 C51 C56 C55 178.2(11)
C52 C53 C57 C60 -114.8(19)
C54 C53 C57 C60 63(2)
C52 C53 C57 C58 120.9(17)
C54 C53 C57 C58 -61(2)
C52 C53 C57 C59 7(2)
C54 C53 C57 C59 -175.3(16)
C56 C55 C61 C63 36.9(18)
C54 C55 C61 C63 -144.8(15)
C56 C55 C61 C62 160.5(14)
C54 C55 C61 C62 -21.2(19)
C56 C55 C61 C64 -79.9(15)
C54 C55 C61 C64 98.5(15)
O2 C65 O1 Ag2 -14(2)
C66 C65 O1 Ag2 168.6(10)
O1 C65 O2 Ag1 16(2)
C66 C65 O2 Ag1 -166.5(10)
