#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:29:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179847 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/43/7014360.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_7014360
loop_
_publ_author_name
'Li, Xiong'
'Li, Yan'
'Yang, Wei-Ping'
'Chen, Yuan-Yin'
'Gong, Shu-Ling'
_publ_section_title
;
 Different metal-ion-induced dimeric self-assembling cavities based on
 thiacalix[4]benzocrown-4 isomers.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              367
_journal_page_last               376
_journal_paper_doi               10.1039/c0dt00543f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C112 H120 Ag2 N6 O26 S8, 2(C H2 Cl2)'
_chemical_formula_sum            'C114 H124 Ag2 Cl4 N6 O26 S8'
_chemical_formula_weight         2608.21
_chemical_name_common
;
1,3-alternate-thiacalix[4]-m-benzocrown-4 silver
picrate complex
;
_chemical_name_systematic
; 
1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3-
bis(oxyethoxy)benzene]-2,8,14,20
-tetra-thiacalix[4]arene silver picrate complex
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 93.955(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1544(7)
_cell_length_b                   23.6949(12)
_cell_length_c                   39.290(2)
_cell_measurement_reflns_used    5400
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      19.05
_cell_measurement_theta_min      2.25
_cell_volume                     12217.2(11)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0936
_diffrn_reflns_av_sigmaI/netI    0.0744
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            116563
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.9409
_exptl_absorpt_correction_T_min  0.8866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick,1997'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5392
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.370
_refine_diff_density_min         -1.678
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1488
_refine_ls_number_reflns         21478
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1564
_refine_ls_R_factor_gt           0.1063
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1502P)²+40.1752P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2631
_refine_ls_wR_factor_ref         0.2919
_reflns_number_gt                13583
_reflns_number_total             21478
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00543F.TXT
_cod_data_source_block           CCDC-740898
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7014360
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.39711(7) 0.52707(4) 0.66867(2) 0.0750(3) Uani 1 1 d . . .
Ag2 Ag 0.31575(6) 0.32459(3) 0.526921(15) 0.0619(3) Uani 1 1 d . . .
C1 C 0.6315(9) 0.5770(5) 0.6781(3) 0.074(3) Uani 1 1 d . . .
C2 C 0.6589(8) 0.5697(4) 0.6441(3) 0.070(3) Uani 1 1 d . . .
C3 C 0.7571(9) 0.5772(4) 0.6344(3) 0.074(3) Uani 1 1 d . . .
H3 H 0.7724 0.5730 0.6118 0.089 Uiso 1 1 calc R . .
C4 C 0.8326(9) 0.5913(5) 0.6597(3) 0.086(3) Uani 1 1 d . . .
C5 C 0.8118(11) 0.5974(5) 0.6926(3) 0.092(4) Uani 1 1 d . . .
H5 H 0.8632 0.6072 0.7090 0.111 Uiso 1 1 calc R . .
C6 C 0.7168(10) 0.5893(6) 0.7014(3) 0.089(4) Uani 1 1 d D A .
C7 C 0.4026(9) 0.5477(6) 0.7516(3) 0.080(3) Uani 1 1 d . . .
C8 C 0.3975(9) 0.6083(5) 0.7496(3) 0.082(3) Uani 1 1 d . . .
C9 C 0.4238(10) 0.6430(7) 0.7762(4) 0.102(4) Uani 1 1 d . . .
H9 H 0.4220 0.6820 0.7737 0.123 Uiso 1 1 calc R . .
C10 C 0.4527(10) 0.6188(8) 0.8065(4) 0.101(4) Uani 1 1 d . . .
C11 C 0.4559(10) 0.5626(8) 0.8112(4) 0.097(4) Uani 1 1 d . . .
H11 H 0.4720 0.5477 0.8328 0.117 Uiso 1 1 calc R . .
C12 C 0.4360(9) 0.5288(7) 0.7850(3) 0.089(4) Uani 1 1 d . . .
C13 C 0.0696(7) 0.4562(3) 0.6367(2) 0.048(2) Uani 1 1 d . . .
C14 C 0.1550(7) 0.4745(4) 0.6557(2) 0.052(2) Uani 1 1 d . . .
C15 C 0.1516(8) 0.4884(4) 0.6905(2) 0.065(3) Uani 1 1 d . . .
H15 H 0.2101 0.5017 0.7025 0.078 Uiso 1 1 calc R . .
C16 C 0.0628(8) 0.4825(4) 0.7072(2) 0.066(3) Uani 1 1 d . . .
C17 C -0.0243(8) 0.4645(4) 0.6866(2) 0.064(3) Uani 1 1 d . . .
H17 H -0.0861 0.4615 0.6966 0.076 Uiso 1 1 calc R . .
C18 C -0.0214(7) 0.4514(3) 0.6529(2) 0.052(2) Uani 1 1 d . . .
C19 C 0.0625(8) 0.4938(5) 0.7455(3) 0.083(3) Uani 1 1 d D . .
C20 C 0.1382(12) 0.4543(7) 0.7654(4) 0.159(7) Uani 1 1 d D . .
H20A H 0.1487 0.4672 0.7885 0.238 Uiso 1 1 calc R . .
H20B H 0.2020 0.4545 0.7549 0.238 Uiso 1 1 calc R . .
H20C H 0.1112 0.4167 0.7651 0.238 Uiso 1 1 calc R . .
C21 C 0.0982(12) 0.5550(5) 0.7523(4) 0.142(6) Uani 1 1 d D . .
H21A H 0.0424 0.5804 0.7473 0.214 Uiso 1 1 calc R . .
H21B H 0.1525 0.5638 0.7381 0.214 Uiso 1 1 calc R . .
H21C H 0.1221 0.5588 0.7758 0.214 Uiso 1 1 calc R . .
C22 C -0.0448(9) 0.4847(7) 0.7577(4) 0.143(6) Uani 1 1 d D . .
H22A H -0.0512 0.5050 0.7786 0.215 Uiso 1 1 calc R . .
H22B H -0.0555 0.4452 0.7615 0.215 Uiso 1 1 calc R . .
H22C H -0.0947 0.4982 0.7406 0.215 Uiso 1 1 calc R . .
C23 C 0.3088(6) 0.4037(3) 0.6399(2) 0.0428(19) Uani 1 1 d . . .
C24 C 0.3303(5) 0.3723(3) 0.61110(17) 0.0335(16) Uani 1 1 d . . .
C25 C 0.3431(5) 0.3150(3) 0.61512(16) 0.0333(16) Uani 1 1 d . . .
C26 C 0.3385(7) 0.2897(4) 0.6464(2) 0.049(2) Uani 1 1 d . . .
H26 H 0.3494 0.2510 0.6484 0.058 Uiso 1 1 calc R . .
C27 C 0.3176(8) 0.3212(4) 0.6755(2) 0.061(3) Uani 1 1 d . . .
C28 C 0.3047(8) 0.3780(4) 0.6714(2) 0.057(2) Uani 1 1 d . . .
H28 H 0.2927 0.4000 0.6903 0.068 Uiso 1 1 calc R . .
C29 C 0.3031(10) 0.2922(5) 0.7099(3) 0.086(4) Uani 1 1 d D . .
C30 C 0.2178(13) 0.3236(8) 0.7274(5) 0.184(9) Uani 1 1 d D . .
H30A H 0.1914 0.2996 0.7444 0.275 Uiso 1 1 calc R . .
H30B H 0.1641 0.3334 0.7107 0.275 Uiso 1 1 calc R . .
H30C H 0.2451 0.3573 0.7381 0.275 Uiso 1 1 calc R . .
C31 C 0.4054(12) 0.2970(9) 0.7309(6) 0.205(10) Uani 1 1 d D . .
H31A H 0.4023 0.2762 0.7517 0.308 Uiso 1 1 calc R . .
H31B H 0.4194 0.3360 0.7360 0.308 Uiso 1 1 calc R . .
H31C H 0.4586 0.2819 0.7180 0.308 Uiso 1 1 calc R . .
C32 C 0.2699(13) 0.2306(5) 0.7052(4) 0.142(6) Uani 1 1 d D . .
H32A H 0.3280 0.2078 0.7008 0.212 Uiso 1 1 calc R . .
H32B H 0.2199 0.2278 0.6863 0.212 Uiso 1 1 calc R . .
H32C H 0.2411 0.2175 0.7255 0.212 Uiso 1 1 calc R . .
C33 C 0.2531(5) 0.2238(3) 0.58335(16) 0.0297(15) Uani 1 1 d . . .
C34 C 0.1542(6) 0.2435(3) 0.57565(16) 0.0327(16) Uani 1 1 d . . .
C35 C 0.0731(5) 0.2060(3) 0.57937(18) 0.0380(17) Uani 1 1 d . . .
C36 C 0.0933(6) 0.1526(3) 0.5923(2) 0.0442(19) Uani 1 1 d . . .
H36 H 0.0387 0.1284 0.5950 0.053 Uiso 1 1 calc R . .
C37 C 0.1911(6) 0.1331(3) 0.6015(2) 0.0417(18) Uani 1 1 d . . .
C38 C 0.2712(6) 0.1705(3) 0.59629(18) 0.0361(17) Uani 1 1 d . . .
H38 H 0.3380 0.1590 0.6017 0.043 Uiso 1 1 calc R . .
C39 C 0.2064(7) 0.0760(4) 0.6192(2) 0.059(2) Uani 1 1 d D . .
C40 C 0.1549(11) 0.0768(6) 0.6533(3) 0.124(5) Uani 1 1 d D . .
H40A H 0.1668 0.0414 0.6649 0.186 Uiso 1 1 calc R . .
H40B H 0.0830 0.0825 0.6490 0.186 Uiso 1 1 calc R . .
H40C H 0.1831 0.1069 0.6674 0.186 Uiso 1 1 calc R . .
C41 C 0.1557(9) 0.0283(4) 0.5973(3) 0.091(4) Uani 1 1 d D . .
H41A H 0.1766 0.0310 0.5744 0.136 Uiso 1 1 calc R . .
H41B H 0.0830 0.0319 0.5970 0.136 Uiso 1 1 calc R . .
H41C H 0.1761 -0.0076 0.6068 0.136 Uiso 1 1 calc R . .
C42 C 0.3194(8) 0.0608(6) 0.6247(4) 0.140(6) Uani 1 1 d D . .
H42A H 0.3556 0.0913 0.6361 0.210 Uiso 1 1 calc R . .
H42B H 0.3467 0.0542 0.6030 0.210 Uiso 1 1 calc R . .
H42C H 0.3268 0.0273 0.6384 0.210 Uiso 1 1 calc R . .
C43 C -0.0845(5) 0.2660(3) 0.60490(19) 0.0388(18) Uani 1 1 d . . .
C44 C -0.0912(5) 0.3255(3) 0.60239(19) 0.0388(18) Uani 1 1 d . . .
C45 C -0.1200(6) 0.3557(4) 0.6303(2) 0.0448(19) Uani 1 1 d . . .
C46 C -0.1392(7) 0.3273(4) 0.6601(2) 0.053(2) Uani 1 1 d . . .
H46 H -0.1602 0.3479 0.6785 0.064 Uiso 1 1 calc R . .
C47 C -0.1283(7) 0.2692(4) 0.6634(2) 0.057(2) Uani 1 1 d . . .
C48 C -0.1031(6) 0.2397(4) 0.6351(2) 0.047(2) Uani 1 1 d . . .
H48 H -0.0984 0.2006 0.6363 0.057 Uiso 1 1 calc R . .
C49 C -0.1476(9) 0.2403(5) 0.6974(3) 0.091(4) Uani 1 1 d D . .
C50 C -0.0538(14) 0.2476(12) 0.7224(7) 0.288(16) Uani 1 1 d D . .
H50A H -0.0549 0.2845 0.7325 0.432 Uiso 1 1 calc R . .
H50B H 0.0069 0.2435 0.7104 0.432 Uiso 1 1 calc R . .
H50C H -0.0546 0.2195 0.7400 0.432 Uiso 1 1 calc R . .
C51 C -0.2386(12) 0.2684(7) 0.7134(5) 0.156(7) Uani 1 1 d D . .
H51A H -0.2278 0.2676 0.7378 0.234 Uiso 1 1 calc R . .
H51B H -0.3000 0.2483 0.7065 0.234 Uiso 1 1 calc R . .
H51C H -0.2445 0.3069 0.7058 0.234 Uiso 1 1 calc R . .
C52 C -0.1767(13) 0.1779(5) 0.6917(4) 0.145(7) Uani 1 1 d D . .
H52A H -0.1167 0.1564 0.6878 0.218 Uiso 1 1 calc R . .
H52B H -0.2246 0.1748 0.6722 0.218 Uiso 1 1 calc R . .
H52C H -0.2070 0.1636 0.7115 0.218 Uiso 1 1 calc R . .
C53 C 0.4116(6) 0.4380(3) 0.5750(2) 0.0452(19) Uani 1 1 d . . .
H53A H 0.4678 0.4206 0.5642 0.054 Uiso 1 1 calc R . .
H53B H 0.4372 0.4518 0.5973 0.054 Uiso 1 1 calc R . .
C54 C 0.3701(8) 0.4866(4) 0.5536(3) 0.063(3) Uani 1 1 d . . .
H54A H 0.3068 0.4992 0.5623 0.076 Uiso 1 1 calc R . .
H54B H 0.4181 0.5177 0.5558 0.076 Uiso 1 1 calc R . .
C55 C 0.2520(8) 0.4642(4) 0.5059(2) 0.061(3) Uani 1 1 d . . .
C56 C 0.2337(9) 0.4705(4) 0.4709(2) 0.068(3) Uani 1 1 d . . .
H56 H 0.2862 0.4814 0.4576 0.081 Uiso 1 1 calc R . .
C57 C 0.1407(9) 0.4607(4) 0.4563(2) 0.070(3) Uani 1 1 d . . .
H57 H 0.1293 0.4656 0.4329 0.084 Uiso 1 1 calc R . .
C58 C 0.0617(8) 0.4438(4) 0.4747(2) 0.060(2) Uani 1 1 d . . .
H58 H -0.0022 0.4364 0.4640 0.073 Uiso 1 1 calc R . .
C59 C 0.0793(8) 0.4377(4) 0.5099(2) 0.052(2) Uani 1 1 d . . .
C60 C 0.1721(7) 0.4477(3) 0.5252(2) 0.051(2) Uani 1 1 d . . .
H60 H 0.1830 0.4437 0.5487 0.061 Uiso 1 1 calc R . .
C61 C -0.0734(7) 0.3883(5) 0.5187(2) 0.061(3) Uani 1 1 d . . .
H61A H -0.0454 0.3559 0.5074 0.073 Uiso 1 1 calc R . .
H61B H -0.1182 0.4084 0.5022 0.073 Uiso 1 1 calc R . .
C62 C -0.1318(6) 0.3692(4) 0.5482(2) 0.056(2) Uani 1 1 d . . .
H62A H -0.1730 0.3998 0.5561 0.067 Uiso 1 1 calc R . .
H62B H -0.1762 0.3378 0.5415 0.067 Uiso 1 1 calc R . .
C63 C 0.2110(5) 0.1975(3) 0.49363(17) 0.0330(16) Uani 1 1 d . . .
C64 C 0.1471(6) 0.2413(3) 0.48244(18) 0.0379(17) Uani 1 1 d . . .
C65 C 0.0432(6) 0.2340(4) 0.47627(18) 0.044(2) Uani 1 1 d . . .
H65 H 0.0031 0.2645 0.4688 0.053 Uiso 1 1 calc R . .
C66 C -0.0020(6) 0.1826(4) 0.4810(2) 0.048(2) Uani 1 1 d . . .
C67 C 0.0607(6) 0.1376(4) 0.4921(2) 0.046(2) Uani 1 1 d . . .
H67 H 0.0322 0.1022 0.4953 0.055 Uiso 1 1 calc R . .
C68 C 0.1647(5) 0.1452(3) 0.49828(17) 0.0370(17) Uani 1 1 d . . .
C69 C -0.1159(6) 0.1723(4) 0.4707(2) 0.070(3) Uani 1 1 d D . .
C70 C -0.1797(7) 0.2260(4) 0.4756(3) 0.090(4) Uani 1 1 d D . .
H70A H -0.2508 0.2167 0.4735 0.135 Uiso 1 1 calc R . .
H70B H -0.1654 0.2533 0.4585 0.135 Uiso 1 1 calc R . .
H70C H -0.1624 0.2416 0.4978 0.135 Uiso 1 1 calc R . .
C71 C -0.1588(8) 0.1246(5) 0.4923(3) 0.109(5) Uani 1 1 d D . .
H71A H -0.1437 0.1325 0.5160 0.163 Uiso 1 1 calc R . .
H71B H -0.1281 0.0894 0.4866 0.163 Uiso 1 1 calc R . .
H71C H -0.2313 0.1223 0.4876 0.163 Uiso 1 1 calc R . .
C72 C -0.1214(9) 0.1575(7) 0.4323(2) 0.125(6) Uani 1 1 d D . .
H72A H -0.0929 0.1207 0.4293 0.187 Uiso 1 1 calc R . .
H72B H -0.0834 0.1849 0.4204 0.187 Uiso 1 1 calc R . .
H72C H -0.1912 0.1579 0.4234 0.187 Uiso 1 1 calc R . .
C73 C 0.2971(5) 0.0653(3) 0.47555(18) 0.0334(16) Uani 1 1 d . . .
C74 C 0.3984(5) 0.0769(3) 0.47165(17) 0.0309(15) Uani 1 1 d . . .
C75 C 0.4438(5) 0.0590(3) 0.44197(18) 0.0347(16) Uani 1 1 d . . .
C76 C 0.3840(6) 0.0299(3) 0.41712(19) 0.0393(18) Uani 1 1 d . . .
H76 H 0.4135 0.0182 0.3975 0.047 Uiso 1 1 calc R . .
C77 C 0.2826(6) 0.0177(3) 0.4206(2) 0.0436(19) Uani 1 1 d . . .
C78 C 0.2410(6) 0.0362(3) 0.45019(19) 0.0433(19) Uani 1 1 d . . .
H78 H 0.1727 0.0287 0.4530 0.052 Uiso 1 1 calc R . .
C79 C 0.2145(6) -0.0141(3) 0.3937(2) 0.064(3) Uani 1 1 d D . .
C80 C 0.1233(8) 0.0241(4) 0.3820(3) 0.102(4) Uani 1 1 d D . .
H80A H 0.0876 0.0350 0.4015 0.153 Uiso 1 1 calc R . .
H80B H 0.0780 0.0038 0.3662 0.153 Uiso 1 1 calc R . .
H80C H 0.1478 0.0572 0.3711 0.153 Uiso 1 1 calc R . .
C81 C 0.1741(9) -0.0685(4) 0.4095(3) 0.088(4) Uani 1 1 d D . .
H81A H 0.2299 -0.0938 0.4151 0.133 Uiso 1 1 calc R . .
H81B H 0.1261 -0.0864 0.3935 0.133 Uiso 1 1 calc R . .
H81C H 0.1412 -0.0594 0.4299 0.133 Uiso 1 1 calc R . .
C82 C 0.2739(9) -0.0319(6) 0.3631(3) 0.112(5) Uani 1 1 d D . .
H82A H 0.2966 0.0011 0.3517 0.168 Uiso 1 1 calc R . .
H82B H 0.2304 -0.0538 0.3476 0.168 Uiso 1 1 calc R . .
H82C H 0.3318 -0.0541 0.3710 0.168 Uiso 1 1 calc R . .
C83 C 0.5910(5) 0.1256(3) 0.41118(18) 0.0342(16) Uani 1 1 d . . .
C84 C 0.5719(5) 0.1799(3) 0.42203(18) 0.0348(16) Uani 1 1 d . . .
C85 C 0.5938(6) 0.2245(3) 0.40055(18) 0.0372(17) Uani 1 1 d . . .
C86 C 0.6339(6) 0.2148(3) 0.36953(19) 0.0428(19) Uani 1 1 d . . .
H86 H 0.6456 0.2451 0.3553 0.051 Uiso 1 1 calc R . .
C87 C 0.6573(6) 0.1600(4) 0.3592(2) 0.046(2) Uani 1 1 d . . .
C88 C 0.6325(5) 0.1157(3) 0.38014(18) 0.0371(17) Uani 1 1 d . . .
H88 H 0.6438 0.0788 0.3733 0.045 Uiso 1 1 calc R . .
C89 C 0.7070(7) 0.1516(4) 0.32478(19) 0.067(3) Uani 1 1 d D . .
C90 C 0.8052(9) 0.1869(6) 0.3249(3) 0.128(6) Uani 1 1 d D . .
H90A H 0.8293 0.1874 0.3024 0.193 Uiso 1 1 calc R . .
H90B H 0.8562 0.1706 0.3406 0.193 Uiso 1 1 calc R . .
H90C H 0.7913 0.2248 0.3319 0.193 Uiso 1 1 calc R . .
C91 C 0.7321(11) 0.0889(4) 0.3191(3) 0.109(5) Uani 1 1 d D . .
H91A H 0.6700 0.0675 0.3170 0.163 Uiso 1 1 calc R . .
H91B H 0.7744 0.0752 0.3382 0.163 Uiso 1 1 calc R . .
H91C H 0.7674 0.0851 0.2987 0.163 Uiso 1 1 calc R . .
C92 C 0.6319(9) 0.1716(5) 0.2957(2) 0.096(4) Uani 1 1 d D . .
H92A H 0.6678 0.1779 0.2756 0.145 Uiso 1 1 calc R . .
H92B H 0.6004 0.2061 0.3023 0.145 Uiso 1 1 calc R . .
H92C H 0.5805 0.1433 0.2912 0.145 Uiso 1 1 calc R . .
C93 C 0.4301(6) 0.2900(3) 0.41256(18) 0.0372(17) Uani 1 1 d . . .
C94 C 0.3781(6) 0.3057(3) 0.44138(18) 0.0373(17) Uani 1 1 d . . .
C95 C 0.2746(6) 0.2957(3) 0.43976(17) 0.0369(17) Uani 1 1 d . . .
C96 C 0.2240(6) 0.2700(3) 0.41183(18) 0.0436(19) Uani 1 1 d . . .
H96 H 0.1543 0.2636 0.4120 0.052 Uiso 1 1 calc R . .
C97 C 0.2751(7) 0.2536(4) 0.38357(19) 0.049(2) Uani 1 1 d . . .
C98 C 0.3774(7) 0.2659(3) 0.38485(19) 0.048(2) Uani 1 1 d . . .
H98 H 0.4131 0.2575 0.3659 0.058 Uiso 1 1 calc R . .
C99 C 0.2254(7) 0.2208(4) 0.3542(2) 0.070(3) Uani 1 1 d D . .
C100 C 0.1116(9) 0.2085(8) 0.3585(4) 0.154(7) Uani 1 1 d D . .
H10A H 0.1047 0.1904 0.3801 0.231 Uiso 1 1 calc R . .
H10B H 0.0854 0.1841 0.3405 0.231 Uiso 1 1 calc R . .
H10C H 0.0741 0.2432 0.3577 0.231 Uiso 1 1 calc R . .
C101 C 0.2832(11) 0.1651(5) 0.3507(4) 0.129(6) Uani 1 1 d D . .
H10D H 0.3492 0.1727 0.3426 0.194 Uiso 1 1 calc R . .
H10E H 0.2456 0.1410 0.3347 0.194 Uiso 1 1 calc R . .
H10F H 0.2912 0.1468 0.3725 0.194 Uiso 1 1 calc R . .
C102 C 0.2338(13) 0.2546(6) 0.3209(3) 0.142(6) Uani 1 1 d D . .
H10G H 0.1920 0.2878 0.3213 0.213 Uiso 1 1 calc R . .
H10H H 0.2111 0.2316 0.3017 0.213 Uiso 1 1 calc R . .
H10I H 0.3034 0.2654 0.3188 0.213 Uiso 1 1 calc R . .
C103 C 0.5085(6) 0.0823(3) 0.52290(19) 0.0408(18) Uani 1 1 d . . .
H10J H 0.5683 0.0636 0.5150 0.049 Uiso 1 1 calc R . .
H10K H 0.4656 0.0541 0.5326 0.049 Uiso 1 1 calc R . .
C104 C 0.5393(6) 0.1263(3) 0.5489(2) 0.046(2) Uani 1 1 d . . .
H10L H 0.4795 0.1447 0.5569 0.055 Uiso 1 1 calc R . .
H10M H 0.5771 0.1092 0.5684 0.055 Uiso 1 1 calc R . .
C105 C 0.6099(5) 0.2191(3) 0.54887(18) 0.0385(18) Uani 1 1 d . . .
C106 C 0.6352(6) 0.2241(4) 0.5834(2) 0.051(2) Uani 1 1 d . . .
H106 H 0.6491 0.1924 0.5969 0.062 Uiso 1 1 calc R . .
C107 C 0.6391(7) 0.2777(4) 0.5975(2) 0.056(2) Uani 1 1 d . . .
H107 H 0.6562 0.2820 0.6207 0.067 Uiso 1 1 calc R . .
C108 C 0.6184(6) 0.3241(4) 0.5779(2) 0.046(2) Uani 1 1 d . . .
H108 H 0.6213 0.3598 0.5878 0.056 Uiso 1 1 calc R . .
C109 C 0.5928(6) 0.3185(3) 0.54314(18) 0.0395(18) Uani 1 1 d . . .
C110 C 0.5874(6) 0.2650(3) 0.52866(19) 0.0407(18) Uani 1 1 d . . .
H110 H 0.5686 0.2605 0.5056 0.049 Uiso 1 1 calc R . .
C111 C 0.5851(7) 0.3714(4) 0.4908(2) 0.050(2) Uani 1 1 d . . .
H11A H 0.6213 0.3383 0.4836 0.060 Uiso 1 1 calc R . .
H11B H 0.6271 0.4042 0.4868 0.060 Uiso 1 1 calc R . .
C112 C 0.4861(7) 0.3766(3) 0.4694(2) 0.045(2) Uani 1 1 d . . .
H11C H 0.4471 0.4079 0.4775 0.054 Uiso 1 1 calc R . .
H11D H 0.4999 0.3842 0.4459 0.054 Uiso 1 1 calc R . .
C113 C 0.1895(13) 0.6316(8) 0.6141(4) 0.135(6) Uani 1 1 d . . .
H11E H 0.2568 0.6358 0.6256 0.162 Uiso 1 1 calc R . .
H11F H 0.1512 0.6056 0.6274 0.162 Uiso 1 1 calc R . .
C114 C 0.5846(12) 0.4224(8) 0.7033(5) 0.144(7) Uani 1 1 d . . .
H11G H 0.5403 0.4528 0.7097 0.173 Uiso 1 1 calc R . .
H11H H 0.5597 0.3876 0.7127 0.173 Uiso 1 1 calc R . .
Cl1 Cl 0.2008(4) 0.6046(3) 0.57538(18) 0.178(2) Uani 1 1 d . . .
Cl2 Cl 0.1292(7) 0.6965(3) 0.6127(2) 0.239(4) Uani 1 1 d . . .
Cl3 Cl 0.5794(4) 0.4171(3) 0.65947(14) 0.188(3) Uani 1 1 d . . .
Cl4 Cl 0.7058(4) 0.4350(3) 0.72025(11) 0.1527(18) Uani 1 1 d . . .
N1 N 0.5852(8) 0.5547(4) 0.6172(2) 0.076(2) Uani 1 1 d . . .
N2 N 0.9352(10) 0.5990(6) 0.6499(4) 0.112(4) Uani 1 1 d . . .
N3 N 0.7035(16) 0.5935(9) 0.7387(5) 0.137(6) Uani 1 1 d D . .
N4 N 0.3606(12) 0.6326(6) 0.7169(4) 0.116(4) Uani 1 1 d . . .
N5 N 0.4721(15) 0.6583(10) 0.8368(6) 0.146(6) Uani 1 1 d . . .
N6 N 0.4441(13) 0.4690(9) 0.7902(5) 0.139(6) Uani 1 1 d . . .
O1 O 0.5424(7) 0.5688(4) 0.6879(2) 0.102(3) Uani 1 1 d . . .
O2 O 0.4959(7) 0.5692(4) 0.6188(2) 0.101(3) Uani 1 1 d . . .
O3 O 0.6120(7) 0.5277(5) 0.5936(2) 0.117(3) Uani 1 1 d . . .
O4 O 0.9544(8) 0.5888(6) 0.6201(3) 0.144(4) Uani 1 1 d . . .
O5 O 1.0012(9) 0.6132(5) 0.6704(3) 0.132(4) Uani 1 1 d . . .
O6 O 0.639(2) 0.5666(13) 0.7525(7) 0.153(9) Uani 0.54 1 d PD A 1
O7 O 0.767(4) 0.6199(14) 0.7558(12) 0.156(12) Uani 0.54 1 d PD A 1
O6' O 0.632(3) 0.6253(16) 0.7426(9) 0.164(11) Uani 0.46 1 d P A 2
O7' O 0.765(5) 0.582(3) 0.7622(17) 0.20(2) Uani 0.46 1 d P A 2
O8 O 0.3803(7) 0.5137(3) 0.72752(19) 0.087(2) Uani 1 1 d . . .
O9 O 0.3085(9) 0.6123(5) 0.6959(3) 0.122(4) Uani 1 1 d . . .
O10 O 0.4069(15) 0.6795(8) 0.7111(4) 0.202(7) Uani 1 1 d . . .
O11 O 0.4633(13) 0.7077(8) 0.8318(4) 0.173(6) Uani 1 1 d . . .
O12 O 0.4831(12) 0.6364(8) 0.8646(4) 0.174(6) Uani 1 1 d . . .
O13 O 0.4471(14) 0.4517(8) 0.8197(5) 0.211(7) Uani 1 1 d . . .
O14 O 0.4522(17) 0.4343(9) 0.7677(6) 0.225(8) Uani 1 1 d . . .
O15 O 0.0812(5) 0.4415(3) 0.60391(15) 0.0635(17) Uani 1 1 d . . .
H15A H 0.0311 0.4237 0.5964 0.095 Uiso 1 1 calc R . .
O16 O 0.1410(4) 0.2973(2) 0.56442(13) 0.0392(12) Uani 1 1 d . . .
H16 H 0.0850 0.3003 0.5540 0.059 Uiso 1 1 calc R . .
O17 O -0.0574(4) 0.3524(2) 0.57412(13) 0.0423(12) Uani 1 1 d . . .
O18 O 0.0048(5) 0.4235(3) 0.53127(15) 0.0592(16) Uani 1 1 d . . .
O19 O 0.3321(4) 0.3963(2) 0.57917(12) 0.0414(12) Uani 1 1 d . . .
O20 O 0.3522(5) 0.4734(3) 0.51908(16) 0.074(2) Uani 1 1 d . . .
O21 O 0.5359(4) 0.1929(2) 0.45265(13) 0.0432(13) Uani 1 1 d . . .
H21 H 0.5395 0.1650 0.4650 0.065 Uiso 1 1 calc R . .
O22 O 0.3116(3) 0.2071(2) 0.49923(13) 0.0361(11) Uani 1 1 d . . .
H22 H 0.3395 0.1789 0.5075 0.054 Uiso 1 1 calc R . .
O23 O 0.4536(4) 0.11077(19) 0.49505(12) 0.0350(11) Uani 1 1 d . . .
O24 O 0.6009(4) 0.1660(2) 0.53316(13) 0.0427(13) Uani 1 1 d . . .
O25 O 0.4276(4) 0.3252(2) 0.47098(12) 0.0389(12) Uani 1 1 d . . .
O26 O 0.5711(6) 0.3672(2) 0.52589(14) 0.0649(18) Uani 1 1 d . . .
S1 S 0.27233(18) 0.47671(9) 0.63496(6) 0.0515(6) Uani 1 1 d . . .
S2 S 0.36147(14) 0.26888(8) 0.57970(5) 0.0356(4) Uani 1 1 d . . .
S3 S -0.05412(15) 0.22671(9) 0.56806(5) 0.0457(5) Uani 1 1 d . . .
S4 S -0.13349(18) 0.43027(10) 0.62826(6) 0.0555(6) Uani 1 1 d . . .
S5 S 0.19861(15) 0.31082(8) 0.47533(5) 0.0417(5) Uani 1 1 d . . .
S6 S 0.24181(16) 0.08701(9) 0.51389(5) 0.0435(5) Uani 1 1 d . . .
S7 S 0.57789(14) 0.06674(8) 0.43904(5) 0.0416(5) Uani 1 1 d . . .
S8 S 0.56657(16) 0.29513(8) 0.41297(5) 0.0462(5) Uani 1 1 d . . .
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'
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'
S S 0.1246 0.1234 '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'
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
O1 Ag1 O8 82.2(3) . . ?
O1 Ag1 S1 163.3(2) . . ?
O8 Ag1 S1 111.9(2) . . ?
O1 Ag1 O9 85.1(4) . . ?
O8 Ag1 O9 68.0(3) . . ?
S1 Ag1 O9 108.0(3) . . ?
O1 Ag1 O2 68.2(3) . . ?
O8 Ag1 O2 150.3(3) . . ?
S1 Ag1 O2 97.7(2) . . ?
O9 Ag1 O2 105.7(3) . . ?
S5 Ag2 S2 135.18(7) . . ?
S5 Ag2 O19 136.59(13) . . ?
S2 Ag2 O19 72.23(12) . . ?
S5 Ag2 O25 71.43(11) . . ?
S2 Ag2 O25 124.02(12) . . ?
O19 Ag2 O25 126.79(15) . . ?
O1 C1 C2 124.4(11) . . ?
O1 C1 C6 122.5(10) . . ?
C2 C1 C6 112.9(10) . . ?
C3 C2 C1 123.0(11) . . ?
C3 C2 N1 115.5(10) . . ?
C1 C2 N1 121.5(9) . . ?
C2 C3 C4 117.9(10) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C5 C4 C3 121.8(11) . . ?
C5 C4 N2 120.0(13) . . ?
C3 C4 N2 118.2(12) . . ?
C6 C5 C4 119.2(12) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C1 125.0(11) . . ?
C5 C6 N3 114.9(14) . . ?
C1 C6 N3 120.2(13) . . ?
O8 C7 C12 122.0(13) . . ?
O8 C7 C8 126.1(11) . . ?
C12 C7 C8 111.8(11) . . ?
C9 C8 C7 123.7(13) . . ?
C9 C8 N4 119.5(14) . . ?
C7 C8 N4 116.8(11) . . ?
C10 C9 C8 117.6(15) . . ?
C10 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
C11 C10 C9 123.0(14) . . ?
C11 C10 N5 120.0(17) . . ?
C9 C10 N5 116.8(18) . . ?
C12 C11 C10 119.6(15) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C7 124.1(15) . . ?
C11 C12 N6 118.7(15) . . ?
C7 C12 N6 117.2(14) . . ?
O15 C13 C14 117.3(7) . . ?
O15 C13 C18 124.6(8) . . ?
C14 C13 C18 118.0(7) . . ?
C13 C14 C15 121.5(8) . . ?
C13 C14 S1 117.2(6) . . ?
C15 C14 S1 121.3(7) . . ?
C16 C15 C14 121.4(9) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 115.6(8) . . ?
C15 C16 C19 120.6(9) . . ?
C17 C16 C19 123.8(8) . . ?
C18 C17 C16 123.1(8) . . ?
C18 C17 H17 118.4 . . ?
C16 C17 H17 118.4 . . ?
C17 C18 C13 120.3(9) . . ?
C17 C18 S4 121.0(7) . . ?
C13 C18 S4 118.6(6) . . ?
C16 C19 C22 110.4(10) . . ?
C16 C19 C20 110.4(10) . . ?
C22 C19 C20 109.4(10) . . ?
C16 C19 C21 108.4(10) . . ?
C22 C19 C21 110.7(9) . . ?
C20 C19 C21 107.6(10) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C28 C23 C24 120.9(7) . . ?
C28 C23 S1 119.4(6) . . ?
C24 C23 S1 119.3(6) . . ?
C25 C24 O19 120.1(6) . . ?
C25 C24 C23 117.5(6) . . ?
O19 C24 C23 122.3(6) . . ?
C26 C25 C24 121.5(7) . . ?
C26 C25 S2 116.3(6) . . ?
C24 C25 S2 122.2(5) . . ?
C25 C26 C27 121.2(8) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 H26 119.4 . . ?
C28 C27 C26 117.2(8) . . ?
C28 C27 C29 121.5(8) . . ?
C26 C27 C29 121.3(8) . . ?
C27 C28 C23 121.8(8) . . ?
C27 C28 H28 119.1 . . ?
C23 C28 H28 119.1 . . ?
C32 C29 C31 111.6(10) . . ?
C32 C29 C27 111.8(9) . . ?
C31 C29 C27 106.3(12) . . ?
C32 C29 C30 107.6(10) . . ?
C31 C29 C30 111.2(11) . . ?
C27 C29 C30 108.3(11) . . ?
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 . . ?
C38 C33 C34 121.4(6) . . ?
C38 C33 S2 117.2(6) . . ?
C34 C33 S2 121.2(5) . . ?
O16 C34 C33 118.8(6) . . ?
O16 C34 C35 123.2(7) . . ?
C33 C34 C35 118.0(6) . . ?
C36 C35 C34 119.3(7) . . ?
C36 C35 S3 120.0(6) . . ?
C34 C35 S3 120.7(6) . . ?
C35 C36 C37 123.4(7) . . ?
C35 C36 H36 118.3 . . ?
C37 C36 H36 118.3 . . ?
C36 C37 C38 116.3(7) . . ?
C36 C37 C39 120.2(7) . . ?
C38 C37 C39 123.3(7) . . ?
C33 C38 C37 121.4(7) . . ?
C33 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C37 C39 C42 111.6(8) . . ?
C37 C39 C40 109.5(8) . . ?
C42 C39 C40 111.2(9) . . ?
C37 C39 C41 110.8(7) . . ?
C42 C39 C41 106.4(8) . . ?
C40 C39 C41 107.2(8) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C48 C43 C44 119.8(7) . . ?
C48 C43 S3 121.7(6) . . ?
C44 C43 S3 118.6(6) . . ?
O17 C44 C45 121.3(7) . . ?
O17 C44 C43 119.6(6) . . ?
C45 C44 C43 118.7(7) . . ?
C44 C45 C46 119.4(8) . . ?
C44 C45 S4 120.8(6) . . ?
C46 C45 S4 119.8(6) . . ?
C47 C46 C45 122.4(8) . . ?
C47 C46 H46 118.8 . . ?
C45 C46 H46 118.8 . . ?
C48 C47 C46 117.2(8) . . ?
C48 C47 C49 122.7(9) . . ?
C46 C47 C49 120.1(8) . . ?
C47 C48 C43 122.3(8) . . ?
C47 C48 H48 118.8 . . ?
C43 C48 H48 118.8 . . ?
C50 C49 C47 109.4(14) . . ?
C50 C49 C52 112.6(12) . . ?
C47 C49 C52 110.9(10) . . ?
C50 C49 C51 107.6(11) . . ?
C47 C49 C51 109.9(10) . . ?
C52 C49 C51 106.4(10) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O19 C53 C54 110.2(7) . . ?
O19 C53 H53A 109.6 . . ?
C54 C53 H53A 109.6 . . ?
O19 C53 H53B 109.6 . . ?
C54 C53 H53B 109.6 . . ?
H53A C53 H53B 108.1 . . ?
O20 C54 C53 113.7(8) . . ?
O20 C54 H54A 108.8 . . ?
C53 C54 H54A 108.8 . . ?
O20 C54 H54B 108.8 . . ?
C53 C54 H54B 108.8 . . ?
H54A C54 H54B 107.7 . . ?
C56 C55 C60 118.9(10) . . ?
C56 C55 O20 116.4(8) . . ?
C60 C55 O20 124.7(8) . . ?
C57 C56 C55 119.9(9) . . ?
C57 C56 H56 120.1 . . ?
C55 C56 H56 120.1 . . ?
C56 C57 C58 122.2(9) . . ?
C56 C57 H57 118.9 . . ?
C58 C57 H57 118.9 . . ?
C57 C58 C59 118.3(10) . . ?
C57 C58 H58 120.9 . . ?
C59 C58 H58 120.9 . . ?
C60 C59 O18 115.6(7) . . ?
C60 C59 C58 120.6(8) . . ?
O18 C59 C58 123.7(9) . . ?
C59 C60 C55 120.1(8) . . ?
C59 C60 H60 120.0 . . ?
C55 C60 H60 120.0 . . ?
O18 C61 C62 108.1(7) . . ?
O18 C61 H61A 110.1 . . ?
C62 C61 H61A 110.1 . . ?
O18 C61 H61B 110.1 . . ?
C62 C61 H61B 110.1 . . ?
H61A C61 H61B 108.4 . . ?
O17 C62 C61 105.9(7) . . ?
O17 C62 H62A 110.6 . . ?
C61 C62 H62A 110.6 . . ?
O17 C62 H62B 110.6 . . ?
C61 C62 H62B 110.6 . . ?
H62A C62 H62B 108.7 . . ?
O22 C63 C64 119.4(7) . . ?
O22 C63 C68 124.2(7) . . ?
C64 C63 C68 116.4(6) . . ?
C65 C64 C63 122.1(7) . . ?
C65 C64 S5 117.6(6) . . ?
C63 C64 S5 120.3(6) . . ?
C66 C65 C64 121.3(8) . . ?
C66 C65 H65 119.4 . . ?
C64 C65 H65 119.4 . . ?
C65 C66 C67 117.9(7) . . ?
C65 C66 C69 121.7(8) . . ?
C67 C66 C69 120.1(8) . . ?
C68 C67 C66 120.6(8) . . ?
C68 C67 H67 119.7 . . ?
C66 C67 H67 119.7 . . ?
C67 C68 C63 121.8(7) . . ?
C67 C68 S6 119.2(6) . . ?
C63 C68 S6 119.0(5) . . ?
C71 C69 C72 112.2(9) . . ?
C71 C69 C70 108.2(8) . . ?
C72 C69 C70 108.6(8) . . ?
C71 C69 C66 110.9(7) . . ?
C72 C69 C66 105.7(7) . . ?
C70 C69 C66 111.2(7) . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C69 C71 H71A 109.5 . . ?
C69 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C69 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C78 119.4(6) . . ?
C74 C73 S6 119.1(5) . . ?
C78 C73 S6 121.5(5) . . ?
C73 C74 O23 120.5(6) . . ?
C73 C74 C75 119.9(6) . . ?
O23 C74 C75 119.3(6) . . ?
C76 C75 C74 118.5(7) . . ?
C76 C75 S7 121.2(5) . . ?
C74 C75 S7 119.9(6) . . ?
C77 C76 C75 122.5(7) . . ?
C77 C76 H76 118.8 . . ?
C75 C76 H76 118.8 . . ?
C76 C77 C78 117.1(7) . . ?
C76 C77 C79 123.8(7) . . ?
C78 C77 C79 119.1(7) . . ?
C73 C78 C77 122.6(7) . . ?
C73 C78 H78 118.7 . . ?
C77 C78 H78 118.7 . . ?
C77 C79 C82 111.6(7) . . ?
C77 C79 C81 109.6(7) . . ?
C82 C79 C81 107.0(8) . . ?
C77 C79 C80 108.8(7) . . ?
C82 C79 C80 110.7(8) . . ?
C81 C79 C80 109.1(8) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C79 C82 H82A 109.5 . . ?
C79 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C79 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C84 C83 C88 121.2(7) . . ?
C84 C83 S7 120.6(5) . . ?
C88 C83 S7 117.7(6) . . ?
O21 C84 C83 124.4(6) . . ?
O21 C84 C85 117.6(6) . . ?
C83 C84 C85 118.0(6) . . ?
C86 C85 C84 121.0(7) . . ?
C86 C85 S8 119.6(6) . . ?
C84 C85 S8 119.4(5) . . ?
C85 C86 C87 120.9(7) . . ?
C85 C86 H86 119.5 . . ?
C87 C86 H86 119.5 . . ?
C88 C87 C86 117.8(7) . . ?
C88 C87 C89 123.2(7) . . ?
C86 C87 C89 118.9(7) . . ?
C87 C88 C83 120.9(7) . . ?
C87 C88 H88 119.5 . . ?
C83 C88 H88 119.5 . . ?
C92 C89 C90 109.4(8) . . ?
C92 C89 C91 108.9(8) . . ?
C90 C89 C91 109.7(9) . . ?
C92 C89 C87 108.7(7) . . ?
C90 C89 C87 109.2(7) . . ?
C91 C89 C87 110.9(7) . . ?
C89 C90 H90A 109.5 . . ?
C89 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C89 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C89 C91 H91A 109.5 . . ?
C89 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C89 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C89 C92 H92A 109.5 . . ?
C89 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C89 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C98 C93 C94 120.0(7) . . ?
C98 C93 S8 118.9(6) . . ?
C94 C93 S8 120.8(6) . . ?
O25 C94 C95 120.4(6) . . ?
O25 C94 C93 122.7(7) . . ?
C95 C94 C93 116.6(7) . . ?
C94 C95 C96 122.1(7) . . ?
C94 C95 S5 121.8(6) . . ?
C96 C95 S5 116.0(6) . . ?
C95 C96 C97 121.5(8) . . ?
C95 C96 H96 119.2 . . ?
C97 C96 H96 119.2 . . ?
C98 C97 C96 115.9(7) . . ?
C98 C97 C99 120.7(8) . . ?
C96 C97 C99 123.3(8) . . ?
C93 C98 C97 123.8(7) . . ?
C93 C98 H98 118.1 . . ?
C97 C98 H98 118.1 . . ?
C97 C99 C101 108.7(8) . . ?
C97 C99 C102 109.3(9) . . ?
C101 C99 C102 107.8(9) . . ?
C97 C99 C100 112.7(9) . . ?
C101 C99 C100 109.7(9) . . ?
C102 C99 C100 108.6(9) . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C99 C101 H10D 109.5 . . ?
C99 C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C99 C101 H10F 109.5 . . ?
H10D C101 H10F 109.5 . . ?
H10E C101 H10F 109.5 . . ?
C99 C102 H10G 109.5 . . ?
C99 C102 H10H 109.5 . . ?
H10G C102 H10H 109.5 . . ?
C99 C102 H10I 109.5 . . ?
H10G C102 H10I 109.5 . . ?
H10H C102 H10I 109.5 . . ?
O23 C103 C104 106.9(6) . . ?
O23 C103 H10J 110.3 . . ?
C104 C103 H10J 110.3 . . ?
O23 C103 H10K 110.3 . . ?
C104 C103 H10K 110.3 . . ?
H10J C103 H10K 108.6 . . ?
O24 C104 C103 107.5(6) . . ?
O24 C104 H10L 110.2 . . ?
C103 C104 H10L 110.2 . . ?
O24 C104 H10M 110.2 . . ?
C103 C104 H10M 110.2 . . ?
H10L C104 H10M 108.5 . . ?
C110 C105 C106 122.1(8) . . ?
C110 C105 O24 116.7(6) . . ?
C106 C105 O24 121.1(7) . . ?
C105 C106 C107 118.0(8) . . ?
C105 C106 H106 121.0 . . ?
C107 C106 H106 121.0 . . ?
C108 C107 C106 121.2(8) . . ?
C108 C107 H107 119.4 . . ?
C106 C107 H107 119.4 . . ?
C107 C108 C109 120.1(8) . . ?
C107 C108 H108 119.9 . . ?
C109 C108 H108 119.9 . . ?
O26 C109 C110 124.6(7) . . ?
O26 C109 C108 115.8(7) . . ?
C110 C109 C108 119.6(7) . . ?
C105 C110 C109 119.0(7) . . ?
C105 C110 H110 120.5 . . ?
C109 C110 H110 120.5 . . ?
O26 C111 C112 112.7(7) . . ?
O26 C111 H11A 109.0 . . ?
C112 C111 H11A 109.0 . . ?
O26 C111 H11B 109.0 . . ?
C112 C111 H11B 109.0 . . ?
H11A C111 H11B 107.8 . . ?
O25 C112 C111 110.5(6) . . ?
O25 C112 H11C 109.6 . . ?
C111 C112 H11C 109.6 . . ?
O25 C112 H11D 109.6 . . ?
C111 C112 H11D 109.6 . . ?
H11C C112 H11D 108.1 . . ?
Cl1 C113 Cl2 112.4(10) . . ?
Cl1 C113 H11E 109.1 . . ?
Cl2 C113 H11E 109.1 . . ?
Cl1 C113 H11F 109.1 . . ?
Cl2 C113 H11F 109.1 . . ?
H11E C113 H11F 107.9 . . ?
Cl4 C114 Cl3 111.9(9) . . ?
Cl4 C114 H11G 109.2 . . ?
Cl3 C114 H11G 109.2 . . ?
Cl4 C114 H11H 109.2 . . ?
Cl3 C114 H11H 109.2 . . ?
H11G C114 H11H 107.9 . . ?
O3 N1 O2 121.3(10) . . ?
O3 N1 C2 118.9(10) . . ?
O2 N1 C2 119.8(10) . . ?
O5 N2 O4 120.6(14) . . ?
O5 N2 C4 120.3(14) . . ?
O4 N2 C4 119.0(13) . . ?
O7 N3 O6 120(3) . . ?
O7 N3 O7' 45(3) . . ?
O6 N3 O7' 89(4) . . ?
O7 N3 O6' 97(3) . . ?
O6 N3 O6' 73(2) . . ?
O7' N3 O6' 121(4) . . ?
O7 N3 C6 117(3) . . ?
O6 N3 C6 123(2) . . ?
O7' N3 C6 128(4) . . ?
O6' N3 C6 108(2) . . ?
O9 N4 O10 120.2(17) . . ?
O9 N4 C8 128.0(15) . . ?
O10 N4 C8 111.1(16) . . ?
O11 N5 O12 125(2) . . ?
O11 N5 C10 118(2) . . ?
O12 N5 C10 117(2) . . ?
O14 N6 O13 118(2) . . ?
O14 N6 C12 124.9(18) . . ?
O13 N6 C12 117.5(19) . . ?
C1 O1 Ag1 138.4(7) . . ?
N1 O2 Ag1 117.0(7) . . ?
C7 O8 Ag1 128.0(8) . . ?
N4 O9 Ag1 111.1(10) . . ?
C13 O15 H15A 109.5 . . ?
C34 O16 H16 109.5 . . ?
C44 O17 C62 117.5(6) . . ?
C59 O18 C61 118.0(7) . . ?
C24 O19 C53 116.0(6) . . ?
C24 O19 Ag2 115.7(4) . . ?
C53 O19 Ag2 111.6(4) . . ?
C54 O20 C55 119.1(7) . . ?
C84 O21 H21 109.5 . . ?
C63 O22 H22 109.5 . . ?
C74 O23 C103 116.4(5) . . ?
C105 O24 C104 115.9(6) . . ?
C94 O25 C112 118.0(5) . . ?
C94 O25 Ag2 115.5(4) . . ?
C112 O25 Ag2 111.0(4) . . ?
C109 O26 C111 120.8(6) . . ?
C14 S1 C23 98.9(4) . . ?
C14 S1 Ag1 110.3(3) . . ?
C23 S1 Ag1 104.8(3) . . ?
C33 S2 C25 98.6(3) . . ?
C33 S2 Ag2 103.5(2) . . ?
C25 S2 Ag2 106.5(2) . . ?
C35 S3 C43 101.6(3) . . ?
C45 S4 C18 100.3(4) . . ?
C95 S5 C64 99.9(3) . . ?
C95 S5 Ag2 108.2(3) . . ?
C64 S5 Ag2 102.2(2) . . ?
C73 S6 C68 100.7(3) . . ?
C75 S7 C83 104.9(3) . . ?
C85 S8 C93 98.8(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 O1 2.236(9) . ?
Ag1 O8 2.359(7) . ?
Ag1 S1 2.360(3) . ?
Ag1 O9 2.600(10) . ?
Ag1 O2 2.623(8) . ?
Ag2 S5 2.482(2) . ?
Ag2 S2 2.497(2) . ?
Ag2 O19 2.661(5) . ?
Ag2 O25 2.728(5) . ?
C1 O1 1.274(12) . ?
C1 C2 1.419(14) . ?
C1 C6 1.428(16) . ?
C2 C3 1.383(14) . ?
C2 N1 1.427(14) . ?
C3 C4 1.395(16) . ?
C3 H3 0.9300 . ?
C4 C5 1.347(16) . ?
C4 N2 1.441(16) . ?
C5 C6 1.333(16) . ?
C5 H5 0.9300 . ?
C6 N3 1.49(2) . ?
C7 O8 1.260(13) . ?
C7 C12 1.429(17) . ?
C7 C8 1.440(17) . ?
C8 C9 1.355(16) . ?
C8 N4 1.462(18) . ?
C9 C10 1.35(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.34(2) . ?
C10 N5 1.52(2) . ?
C11 C12 1.316(18) . ?
C11 H11 0.9300 . ?
C12 N6 1.43(2) . ?
C13 O15 1.352(9) . ?
C13 C14 1.376(12) . ?
C13 C18 1.400(11) . ?
C14 C15 1.408(12) . ?
C14 S1 1.795(8) . ?
C15 C16 1.386(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.421(14) . ?
C16 C19 1.528(13) . ?
C17 C18 1.363(12) . ?
C17 H17 0.9300 . ?
C18 S4 1.778(10) . ?
C19 C22 1.537(9) . ?
C19 C20 1.54(2) . ?
C19 C21 1.541(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C28 1.385(11) . ?
C23 C24 1.398(10) . ?
C23 S1 1.803(8) . ?
C24 C25 1.376(10) . ?
C24 O19 1.379(8) . ?
C25 C26 1.373(10) . ?
C25 S2 1.799(7) . ?
C26 C27 1.409(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.364(12) . ?
C27 C29 1.539(12) . ?
C28 H28 0.9300 . ?
C29 C32 1.532(9) . ?
C29 C31 1.53(2) . ?
C29 C30 1.55(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C38 1.377(10) . ?
C33 C34 1.396(10) . ?
C33 S2 1.794(7) . ?
C34 O16 1.357(8) . ?
C34 C35 1.403(10) . ?
C35 C36 1.384(11) . ?
C35 S3 1.770(8) . ?
C36 C37 1.391(11) . ?
C36 H36 0.9300 . ?
C37 C38 1.403(10) . ?
C37 C39 1.528(11) . ?
C38 H38 0.9300 . ?
C39 C42 1.530(9) . ?
C39 C40 1.542(8) . ?
C39 C41 1.545(8) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C48 1.376(11) . ?
C43 C44 1.416(11) . ?
C43 S3 1.789(8) . ?
C44 O17 1.381(9) . ?
C44 C45 1.384(11) . ?
C45 C46 1.390(11) . ?
C45 S4 1.776(9) . ?
C46 C47 1.389(12) . ?
C46 H46 0.9300 . ?
C47 C48 1.375(12) . ?
C47 C49 1.538(13) . ?
C48 H48 0.9300 . ?
C49 C50 1.53(3) . ?
C49 C52 1.539(9) . ?
C49 C51 1.54(2) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 O19 1.457(9) . ?
C53 C54 1.509(12) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 O20 1.395(12) . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.388(13) . ?
C55 C60 1.394(12) . ?
C55 O20 1.399(12) . ?
C56 C57 1.336(15) . ?
C56 H56 0.9300 . ?
C57 C58 1.365(13) . ?
C57 H57 0.9300 . ?
C58 C59 1.394(12) . ?
C58 H58 0.9300 . ?
C59 C60 1.346(13) . ?
C59 O18 1.376(10) . ?
C60 H60 0.9300 . ?
C61 O18 1.389(11) . ?
C61 C62 1.504(11) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 O17 1.421(9) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 O22 1.346(8) . ?
C63 C64 1.387(10) . ?
C63 C68 1.398(10) . ?
C64 C65 1.383(11) . ?
C64 S5 1.810(8) . ?
C65 C66 1.373(12) . ?
C65 H65 0.9300 . ?
C66 C67 1.398(12) . ?
C66 C69 1.545(11) . ?
C67 C68 1.385(11) . ?
C67 H67 0.9300 . ?
C68 S6 1.795(8) . ?
C69 C71 1.542(8) . ?
C69 C72 1.544(8) . ?
C69 C70 1.544(8) . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 C74 1.380(10) . ?
C73 C78 1.382(10) . ?
C73 S6 1.793(7) . ?
C74 O23 1.388(8) . ?
C74 C75 1.411(10) . ?
C75 C76 1.394(10) . ?
C75 S7 1.785(7) . ?
C76 C77 1.380(11) . ?
C76 H76 0.9300 . ?
C77 C78 1.390(11) . ?
C77 C79 1.534(11) . ?
C78 H78 0.9300 . ?
C79 C82 1.537(8) . ?
C79 C81 1.542(8) . ?
C79 C80 1.547(8) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 C84 1.384(10) . ?
C83 C88 1.390(10) . ?
C83 S7 1.788(7) . ?
C84 O21 1.359(8) . ?
C84 C85 1.396(10) . ?
C85 C86 1.380(10) . ?
C85 S8 1.786(8) . ?
C86 C87 1.401(11) . ?
C86 H86 0.9300 . ?
C87 C88 1.386(11) . ?
C87 C89 1.557(10) . ?
C88 H88 0.9300 . ?
C89 C92 1.532(8) . ?
C89 C90 1.540(8) . ?
C89 C91 1.540(8) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
C93 C98 1.373(11) . ?
C93 C94 1.412(10) . ?
C93 S8 1.799(8) . ?
C94 O25 1.373(9) . ?
C94 C95 1.379(11) . ?
C95 C96 1.385(11) . ?
C95 S5 1.809(7) . ?
C96 C97 1.392(11) . ?
C96 H96 0.9300 . ?
C97 C98 1.375(12) . ?
C97 C99 1.504(12) . ?
C98 H98 0.9300 . ?
C99 C101 1.535(9) . ?
C99 C102 1.544(9) . ?
C99 C100 1.546(9) . ?
C100 H10A 0.9600 . ?
C100 H10B 0.9600 . ?
C100 H10C 0.9600 . ?
C101 H10D 0.9600 . ?
C101 H10E 0.9600 . ?
C101 H10F 0.9600 . ?
C102 H10G 0.9600 . ?
C102 H10H 0.9600 . ?
C102 H10I 0.9600 . ?
C103 O23 1.437(8) . ?
C103 C104 1.498(11) . ?
C103 H10J 0.9700 . ?
C103 H10K 0.9700 . ?
C104 O24 1.412(9) . ?
C104 H10L 0.9700 . ?
C104 H10M 0.9700 . ?
C105 C110 1.367(11) . ?
C105 C106 1.381(11) . ?
C105 O24 1.403(9) . ?
C106 C107 1.383(12) . ?
C106 H106 0.9300 . ?
C107 C108 1.360(12) . ?
C107 H107 0.9300 . ?
C108 C109 1.391(11) . ?
C108 H108 0.9300 . ?
C109 O26 1.360(9) . ?
C109 C110 1.388(11) . ?
C110 H110 0.9300 . ?
C111 O26 1.409(9) . ?
C111 C112 1.505(12) . ?
C111 H11A 0.9700 . ?
C111 H11B 0.9700 . ?
C112 O25 1.445(9) . ?
C112 H11C 0.9700 . ?
C112 H11D 0.9700 . ?
C113 Cl1 1.668(18) . ?
C113 Cl2 1.728(19) . ?
C113 H11E 0.9700 . ?
C113 H11F 0.9700 . ?
C114 Cl4 1.712(18) . ?
C114 Cl3 1.722(19) . ?
C114 H11G 0.9700 . ?
C114 H11H 0.9700 . ?
N1 O3 1.200(12) . ?
N1 O2 1.230(11) . ?
N2 O5 1.194(14) . ?
N2 O4 1.239(15) . ?
N3 O7 1.21(5) . ?
N3 O6 1.21(3) . ?
N3 O7' 1.22(7) . ?
N3 O6' 1.23(4) . ?
N4 O9 1.141(15) . ?
N4 O10 1.293(18) . ?
N5 O11 1.19(2) . ?
N5 O12 1.21(2) . ?
N6 O14 1.22(2) . ?
N6 O13 1.23(2) . ?
O15 H15A 0.8200 . ?
O16 H16 0.8200 . ?
O21 H21 0.8200 . ?
O22 H22 0.8200 . ?
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
O1 C1 C2 C3 -177.8(11) . . . . ?
C6 C1 C2 C3 -3.5(16) . . . . ?
O1 C1 C2 N1 2.9(18) . . . . ?
C6 C1 C2 N1 177.2(10) . . . . ?
C1 C2 C3 C4 1.5(17) . . . . ?
N1 C2 C3 C4 -179.2(10) . . . . ?
C2 C3 C4 C5 0.2(19) . . . . ?
C2 C3 C4 N2 179.8(11) . . . . ?
C3 C4 C5 C6 1(2) . . . . ?
N2 C4 C5 C6 -179.0(13) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C4 C5 C6 N3 176.2(13) . . . . ?
O1 C1 C6 C5 178.9(13) . . . . ?
C2 C1 C6 C5 4.5(19) . . . . ?
O1 C1 C6 N3 0(2) . . . . ?
C2 C1 C6 N3 -174.9(12) . . . . ?
O8 C7 C8 C9 -179.1(12) . . . . ?
C12 C7 C8 C9 1.4(17) . . . . ?
O8 C7 C8 N4 1.7(18) . . . . ?
C12 C7 C8 N4 -177.8(11) . . . . ?
C7 C8 C9 C10 -2(2) . . . . ?
N4 C8 C9 C10 176.7(13) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C8 C9 C10 N5 -174.4(13) . . . . ?
C9 C10 C11 C12 4(2) . . . . ?
N5 C10 C11 C12 178.0(13) . . . . ?
C10 C11 C12 C7 -5(2) . . . . ?
C10 C11 C12 N6 177.4(14) . . . . ?
O8 C7 C12 C11 -177.0(12) . . . . ?
C8 C7 C12 C11 2.6(17) . . . . ?
O8 C7 C12 N6 0.4(18) . . . . ?
C8 C7 C12 N6 179.9(12) . . . . ?
O15 C13 C14 C15 -177.2(8) . . . . ?
C18 C13 C14 C15 -0.3(13) . . . . ?
O15 C13 C14 S1 -0.1(11) . . . . ?
C18 C13 C14 S1 176.8(6) . . . . ?
C13 C14 C15 C16 2.0(15) . . . . ?
S1 C14 C15 C16 -175.0(8) . . . . ?
C14 C15 C16 C17 -2.9(15) . . . . ?
C14 C15 C16 C19 175.7(9) . . . . ?
C15 C16 C17 C18 2.5(15) . . . . ?
C19 C16 C17 C18 -176.0(10) . . . . ?
C16 C17 C18 C13 -1.0(15) . . . . ?
C16 C17 C18 S4 -178.9(8) . . . . ?
O15 C13 C18 C17 176.5(9) . . . . ?
C14 C13 C18 C17 -0.1(13) . . . . ?
O15 C13 C18 S4 -5.6(12) . . . . ?
C14 C13 C18 S4 177.8(7) . . . . ?
C15 C16 C19 C22 179.8(11) . . . . ?
C17 C16 C19 C22 -1.7(15) . . . . ?
C15 C16 C19 C20 -59.2(14) . . . . ?
C17 C16 C19 C20 119.3(12) . . . . ?
C15 C16 C19 C21 58.4(14) . . . . ?
C17 C16 C19 C21 -123.1(12) . . . . ?
C28 C23 C24 C25 2.4(12) . . . . ?
S1 C23 C24 C25 -170.7(6) . . . . ?
C28 C23 C24 O19 178.1(7) . . . . ?
S1 C23 C24 O19 5.0(10) . . . . ?
O19 C24 C25 C26 -177.9(7) . . . . ?
C23 C24 C25 C26 -2.2(11) . . . . ?
O19 C24 C25 S2 -0.5(10) . . . . ?
C23 C24 C25 S2 175.2(6) . . . . ?
C24 C25 C26 C27 1.8(13) . . . . ?
S2 C25 C26 C27 -175.7(7) . . . . ?
C25 C26 C27 C28 -1.5(14) . . . . ?
C25 C26 C27 C29 174.5(9) . . . . ?
C26 C27 C28 C23 1.8(15) . . . . ?
C29 C27 C28 C23 -174.3(10) . . . . ?
C24 C23 C28 C27 -2.3(14) . . . . ?
S1 C23 C28 C27 170.8(8) . . . . ?
C28 C27 C29 C32 152.1(11) . . . . ?
C26 C27 C29 C32 -23.8(15) . . . . ?
C28 C27 C29 C31 -85.9(14) . . . . ?
C26 C27 C29 C31 98.2(13) . . . . ?
C28 C27 C29 C30 33.7(15) . . . . ?
C26 C27 C29 C30 -142.2(12) . . . . ?
C38 C33 C34 O16 177.0(6) . . . . ?
S2 C33 C34 O16 1.7(8) . . . . ?
C38 C33 C34 C35 -4.1(10) . . . . ?
S2 C33 C34 C35 -179.5(5) . . . . ?
O16 C34 C35 C36 -177.4(6) . . . . ?
C33 C34 C35 C36 3.8(10) . . . . ?
O16 C34 C35 S3 2.0(9) . . . . ?
C33 C34 C35 S3 -176.8(5) . . . . ?
C34 C35 C36 C37 -1.1(11) . . . . ?
S3 C35 C36 C37 179.5(6) . . . . ?
C35 C36 C37 C38 -1.4(11) . . . . ?
C35 C36 C37 C39 173.3(7) . . . . ?
C34 C33 C38 C37 1.6(10) . . . . ?
S2 C33 C38 C37 177.2(5) . . . . ?
C36 C37 C38 C33 1.1(10) . . . . ?
C39 C37 C38 C33 -173.4(7) . . . . ?
C36 C37 C39 C42 175.7(9) . . . . ?
C38 C37 C39 C42 -9.9(12) . . . . ?
C36 C37 C39 C40 -60.7(11) . . . . ?
C38 C37 C39 C40 113.6(9) . . . . ?
C36 C37 C39 C41 57.3(10) . . . . ?
C38 C37 C39 C41 -128.4(8) . . . . ?
C48 C43 C44 O17 169.9(7) . . . . ?
S3 C43 C44 O17 -11.2(9) . . . . ?
C48 C43 C44 C45 -2.2(11) . . . . ?
S3 C43 C44 C45 176.6(6) . . . . ?
O17 C44 C45 C46 -170.6(7) . . . . ?
C43 C44 C45 C46 1.5(12) . . . . ?
O17 C44 C45 S4 9.9(10) . . . . ?
C43 C44 C45 S4 -178.1(6) . . . . ?
C44 C45 C46 C47 1.6(13) . . . . ?
S4 C45 C46 C47 -178.9(7) . . . . ?
C45 C46 C47 C48 -3.8(14) . . . . ?
C45 C46 C47 C49 178.2(9) . . . . ?
C46 C47 C48 C43 3.0(13) . . . . ?
C49 C47 C48 C43 -179.1(9) . . . . ?
C44 C43 C48 C47 0.0(12) . . . . ?
S3 C43 C48 C47 -178.8(7) . . . . ?
C48 C47 C49 C50 102.3(14) . . . . ?
C46 C47 C49 C50 -79.7(14) . . . . ?
C48 C47 C49 C52 -22.4(14) . . . . ?
C46 C47 C49 C52 155.5(10) . . . . ?
C48 C47 C49 C51 -139.7(11) . . . . ?
C46 C47 C49 C51 38.2(14) . . . . ?
O19 C53 C54 O20 -72.5(9) . . . . ?
C60 C55 C56 C57 0.0(15) . . . . ?
O20 C55 C56 C57 177.9(9) . . . . ?
C55 C56 C57 C58 -1.0(16) . . . . ?
C56 C57 C58 C59 1.3(15) . . . . ?
C57 C58 C59 C60 -0.7(13) . . . . ?
C57 C58 C59 O18 176.8(8) . . . . ?
O18 C59 C60 C55 -177.9(7) . . . . ?
C58 C59 C60 C55 -0.2(13) . . . . ?
C56 C55 C60 C59 0.6(13) . . . . ?
O20 C55 C60 C59 -177.2(8) . . . . ?
O18 C61 C62 O17 -46.6(10) . . . . ?
O22 C63 C64 C65 -179.9(6) . . . . ?
C68 C63 C64 C65 0.2(10) . . . . ?
O22 C63 C64 S5 0.1(9) . . . . ?
C68 C63 C64 S5 -179.7(5) . . . . ?
C63 C64 C65 C66 0.0(11) . . . . ?
S5 C64 C65 C66 179.9(6) . . . . ?
C64 C65 C66 C67 -0.4(11) . . . . ?
C64 C65 C66 C69 -173.5(7) . . . . ?
C65 C66 C67 C68 0.5(11) . . . . ?
C69 C66 C67 C68 173.8(7) . . . . ?
C66 C67 C68 C63 -0.3(11) . . . . ?
C66 C67 C68 S6 177.9(6) . . . . ?
O22 C63 C68 C67 -179.9(6) . . . . ?
C64 C63 C68 C67 -0.1(10) . . . . ?
O22 C63 C68 S6 1.9(9) . . . . ?
C64 C63 C68 S6 -178.2(5) . . . . ?
C65 C66 C69 C71 -154.0(8) . . . . ?
C67 C66 C69 C71 33.0(11) . . . . ?
C65 C66 C69 C72 84.2(10) . . . . ?
C67 C66 C69 C72 -88.8(10) . . . . ?
C65 C66 C69 C70 -33.5(10) . . . . ?
C67 C66 C69 C70 153.5(8) . . . . ?
C78 C73 C74 O23 173.5(6) . . . . ?
S6 C73 C74 O23 -7.8(9) . . . . ?
C78 C73 C74 C75 0.0(10) . . . . ?
S6 C73 C74 C75 178.7(5) . . . . ?
C73 C74 C75 C76 0.0(10) . . . . ?
O23 C74 C75 C76 -173.6(6) . . . . ?
C73 C74 C75 S7 -172.8(5) . . . . ?
O23 C74 C75 S7 13.6(9) . . . . ?
C74 C75 C76 C77 -0.2(11) . . . . ?
S7 C75 C76 C77 172.5(6) . . . . ?
C75 C76 C77 C78 0.4(12) . . . . ?
C75 C76 C77 C79 179.8(7) . . . . ?
C74 C73 C78 C77 0.2(12) . . . . ?
S6 C73 C78 C77 -178.4(6) . . . . ?
C76 C77 C78 C73 -0.4(12) . . . . ?
C79 C77 C78 C73 -179.8(7) . . . . ?
C76 C77 C79 C82 1.5(12) . . . . ?
C78 C77 C79 C82 -179.2(9) . . . . ?
C76 C77 C79 C81 119.9(9) . . . . ?
C78 C77 C79 C81 -60.8(10) . . . . ?
C76 C77 C79 C80 -121.0(9) . . . . ?
C78 C77 C79 C80 58.4(10) . . . . ?
C88 C83 C84 O21 -176.9(7) . . . . ?
S7 C83 C84 O21 -4.8(10) . . . . ?
C88 C83 C84 C85 1.2(11) . . . . ?
S7 C83 C84 C85 173.3(6) . . . . ?
O21 C84 C85 C86 177.8(7) . . . . ?
C83 C84 C85 C86 -0.5(11) . . . . ?
O21 C84 C85 S8 -3.7(10) . . . . ?
C83 C84 C85 S8 178.0(5) . . . . ?
C84 C85 C86 C87 -2.3(12) . . . . ?
S8 C85 C86 C87 179.2(6) . . . . ?
C85 C86 C87 C88 4.2(12) . . . . ?
C85 C86 C87 C89 -177.2(7) . . . . ?
C86 C87 C88 C83 -3.4(11) . . . . ?
C89 C87 C88 C83 178.0(7) . . . . ?
C84 C83 C88 C87 0.8(11) . . . . ?
S7 C83 C88 C87 -171.5(6) . . . . ?
C88 C87 C89 C92 115.0(9) . . . . ?
C86 C87 C89 C92 -63.5(10) . . . . ?
C88 C87 C89 C90 -125.7(10) . . . . ?
C86 C87 C89 C90 55.8(11) . . . . ?
C88 C87 C89 C91 -4.7(12) . . . . ?
C86 C87 C89 C91 176.8(9) . . . . ?
C98 C93 C94 O25 174.0(7) . . . . ?
S8 C93 C94 O25 -0.4(10) . . . . ?
C98 C93 C94 C95 -0.1(10) . . . . ?
S8 C93 C94 C95 -174.6(5) . . . . ?
O25 C94 C95 C96 -172.4(7) . . . . ?
C93 C94 C95 C96 1.9(11) . . . . ?
O25 C94 C95 S5 3.1(10) . . . . ?
C93 C94 C95 S5 177.4(5) . . . . ?
C94 C95 C96 C97 -1.0(12) . . . . ?
S5 C95 C96 C97 -176.7(6) . . . . ?
C95 C96 C97 C98 -1.7(12) . . . . ?
C95 C96 C97 C99 174.1(8) . . . . ?
C94 C93 C98 C97 -2.7(12) . . . . ?
S8 C93 C98 C97 171.8(7) . . . . ?
C96 C97 C98 C93 3.6(12) . . . . ?
C99 C97 C98 C93 -172.3(8) . . . . ?
C98 C97 C99 C101 54.8(12) . . . . ?
C96 C97 C99 C101 -120.7(10) . . . . ?
C98 C97 C99 C102 -62.5(12) . . . . ?
C96 C97 C99 C102 121.9(10) . . . . ?
C98 C97 C99 C100 176.7(10) . . . . ?
C96 C97 C99 C100 1.1(13) . . . . ?
O23 C103 C104 O24 -59.7(8) . . . . ?
C110 C105 C106 C107 -1.1(12) . . . . ?
O24 C105 C106 C107 -177.7(7) . . . . ?
C105 C106 C107 C108 0.2(13) . . . . ?
C106 C107 C108 C109 -0.1(13) . . . . ?
C107 C108 C109 O26 178.5(8) . . . . ?
C107 C108 C109 C110 0.8(12) . . . . ?
C106 C105 C110 C109 1.9(11) . . . . ?
O24 C105 C110 C109 178.6(6) . . . . ?
O26 C109 C110 C105 -179.1(7) . . . . ?
C108 C109 C110 C105 -1.7(11) . . . . ?
O26 C111 C112 O25 -66.5(8) . . . . ?
C3 C2 N1 O3 30.3(15) . . . . ?
C1 C2 N1 O3 -150.3(11) . . . . ?
C3 C2 N1 O2 -149.9(10) . . . . ?
C1 C2 N1 O2 29.5(15) . . . . ?
C5 C4 N2 O5 -3(2) . . . . ?
C3 C4 N2 O5 177.0(13) . . . . ?
C5 C4 N2 O4 174.3(14) . . . . ?
C3 C4 N2 O4 -5(2) . . . . ?
C5 C6 N3 O7 22(3) . . . . ?
C1 C6 N3 O7 -158(2) . . . . ?
C5 C6 N3 O6 -149(2) . . . . ?
C1 C6 N3 O6 30(3) . . . . ?
C5 C6 N3 O7' -31(5) . . . . ?
C1 C6 N3 O7' 149(5) . . . . ?
C5 C6 N3 O6' 130(3) . . . . ?
C1 C6 N3 O6' -50(3) . . . . ?
C9 C8 N4 O9 -154.2(16) . . . . ?
C7 C8 N4 O9 25(2) . . . . ?
C9 C8 N4 O10 35.6(19) . . . . ?
C7 C8 N4 O10 -145.1(14) . . . . ?
C11 C10 N5 O11 -176.1(18) . . . . ?
C9 C10 N5 O11 -2(3) . . . . ?
C11 C10 N5 O12 -5(3) . . . . ?
C9 C10 N5 O12 169.4(17) . . . . ?
C11 C12 N6 O14 -161(2) . . . . ?
C7 C12 N6 O14 21(3) . . . . ?
C11 C12 N6 O13 16(2) . . . . ?
C7 C12 N6 O13 -161.8(17) . . . . ?
C2 C1 O1 Ag1 15(2) . . . . ?
C6 C1 O1 Ag1 -158.5(10) . . . . ?
O8 Ag1 O1 C1 150.0(13) . . . . ?
S1 Ag1 O1 C1 1(2) . . . . ?
O9 Ag1 O1 C1 -141.6(13) . . . . ?
O2 Ag1 O1 C1 -32.5(12) . . . . ?
O3 N1 O2 Ag1 115.5(10) . . . . ?
C2 N1 O2 Ag1 -64.3(12) . . . . ?
O1 Ag1 O2 N1 53.8(8) . . . . ?
O8 Ag1 O2 N1 58.7(12) . . . . ?
S1 Ag1 O2 N1 -116.9(8) . . . . ?
O9 Ag1 O2 N1 131.8(9) . . . . ?
C12 C7 O8 Ag1 -149.1(9) . . . . ?
C8 C7 O8 Ag1 31.4(17) . . . . ?
O1 Ag1 O8 C7 39.6(10) . . . . ?
S1 Ag1 O8 C7 -149.6(9) . . . . ?
O9 Ag1 O8 C7 -48.2(10) . . . . ?
O2 Ag1 O8 C7 35.1(13) . . . . ?
O10 N4 O9 Ag1 103.2(16) . . . . ?
C8 N4 O9 Ag1 -66.2(18) . . . . ?
O1 Ag1 O9 N4 -22.8(12) . . . . ?
O8 Ag1 O9 N4 60.7(11) . . . . ?
S1 Ag1 O9 N4 167.7(11) . . . . ?
O2 Ag1 O9 N4 -88.5(12) . . . . ?
C45 C44 O17 C62 -87.7(9) . . . . ?
C43 C44 O17 C62 100.3(9) . . . . ?
C61 C62 O17 C44 -171.1(7) . . . . ?
C60 C59 O18 C61 -150.0(8) . . . . ?
C58 C59 O18 C61 32.4(12) . . . . ?
C62 C61 O18 C59 168.3(7) . . . . ?
C25 C24 O19 C53 -119.2(7) . . . . ?
C23 C24 O19 C53 65.2(9) . . . . ?
C25 C24 O19 Ag2 14.3(8) . . . . ?
C23 C24 O19 Ag2 -161.2(6) . . . . ?
C54 C53 O19 C24 -139.8(7) . . . . ?
C54 C53 O19 Ag2 84.9(7) . . . . ?
S5 Ag2 O19 C24 121.7(4) . . . . ?
S2 Ag2 O19 C24 -16.5(4) . . . . ?
O25 Ag2 O19 C24 -136.1(4) . . . . ?
S5 Ag2 O19 C53 -102.8(5) . . . . ?
S2 Ag2 O19 C53 119.0(5) . . . . ?
O25 Ag2 O19 C53 -0.6(5) . . . . ?
C53 C54 O20 C55 103.6(9) . . . . ?
C56 C55 O20 C54 158.6(8) . . . . ?
C60 C55 O20 C54 -23.6(13) . . . . ?
C73 C74 O23 C103 92.6(8) . . . . ?
C75 C74 O23 C103 -93.8(7) . . . . ?
C104 C103 O23 C74 -165.9(6) . . . . ?
C110 C105 O24 C104 -126.7(7) . . . . ?
C106 C105 O24 C104 50.0(9) . . . . ?
C103 C104 O24 C105 159.8(6) . . . . ?
C95 C94 O25 C112 -124.6(7) . . . . ?
C93 C94 O25 C112 61.5(9) . . . . ?
C95 C94 O25 Ag2 10.0(8) . . . . ?
C93 C94 O25 Ag2 -163.9(5) . . . . ?
C111 C112 O25 C94 -138.9(7) . . . . ?
C111 C112 O25 Ag2 84.6(6) . . . . ?
S5 Ag2 O25 C94 -13.9(4) . . . . ?
S2 Ag2 O25 C94 118.6(4) . . . . ?
O19 Ag2 O25 C94 -148.8(4) . . . . ?
S5 Ag2 O25 C112 123.7(5) . . . . ?
S2 Ag2 O25 C112 -103.7(4) . . . . ?
O19 Ag2 O25 C112 -11.1(5) . . . . ?
C110 C109 O26 C111 -28.7(12) . . . . ?
C108 C109 O26 C111 153.8(7) . . . . ?
C112 C111 O26 C109 111.8(9) . . . . ?
C13 C14 S1 C23 -82.6(7) . . . . ?
C15 C14 S1 C23 94.5(8) . . . . ?
C13 C14 S1 Ag1 167.9(6) . . . . ?
C15 C14 S1 Ag1 -15.0(9) . . . . ?
C28 C23 S1 C14 -47.3(8) . . . . ?
C24 C23 S1 C14 125.8(7) . . . . ?
C28 C23 S1 Ag1 66.5(7) . . . . ?
C24 C23 S1 Ag1 -120.4(6) . . . . ?
O1 Ag1 S1 C14 -179.5(10) . . . . ?
O8 Ag1 S1 C14 34.2(4) . . . . ?
O9 Ag1 S1 C14 -38.8(4) . . . . ?
O2 Ag1 S1 C14 -148.2(4) . . . . ?
O1 Ag1 S1 C23 75.0(10) . . . . ?
O8 Ag1 S1 C23 -71.3(3) . . . . ?
O9 Ag1 S1 C23 -144.3(4) . . . . ?
O2 Ag1 S1 C23 106.3(3) . . . . ?
C38 C33 S2 C25 -105.3(6) . . . . ?
C34 C33 S2 C25 70.2(6) . . . . ?
C38 C33 S2 Ag2 145.3(5) . . . . ?
C34 C33 S2 Ag2 -39.1(5) . . . . ?
C26 C25 S2 C33 57.0(7) . . . . ?
C24 C25 S2 C33 -120.5(6) . . . . ?
C26 C25 S2 Ag2 164.0(6) . . . . ?
C24 C25 S2 Ag2 -13.6(7) . . . . ?
S5 Ag2 S2 C33 -23.0(2) . . . . ?
O19 Ag2 S2 C33 116.4(2) . . . . ?
O25 Ag2 S2 C33 -120.7(2) . . . . ?
S5 Ag2 S2 C25 -126.4(3) . . . . ?
O19 Ag2 S2 C25 13.0(3) . . . . ?
O25 Ag2 S2 C25 135.8(3) . . . . ?
C36 C35 S3 C43 98.6(6) . . . . ?
C34 C35 S3 C43 -80.9(6) . . . . ?
C48 C43 S3 C35 -74.3(7) . . . . ?
C44 C43 S3 C35 106.9(6) . . . . ?
C44 C45 S4 C18 -105.3(7) . . . . ?
C46 C45 S4 C18 75.1(7) . . . . ?
C17 C18 S4 C45 -96.8(8) . . . . ?
C13 C18 S4 C45 85.3(7) . . . . ?
C94 C95 S5 C64 -121.5(6) . . . . ?
C96 C95 S5 C64 54.2(6) . . . . ?
C94 C95 S5 Ag2 -15.0(7) . . . . ?
C96 C95 S5 Ag2 160.7(5) . . . . ?
C65 C64 S5 C95 -113.8(6) . . . . ?
C63 C64 S5 C95 66.1(6) . . . . ?
C65 C64 S5 Ag2 135.0(5) . . . . ?
C63 C64 S5 Ag2 -45.1(6) . . . . ?
S2 Ag2 S5 C95 -107.5(3) . . . . ?
O19 Ag2 S5 C95 136.8(3) . . . . ?
O25 Ag2 S5 C95 12.4(3) . . . . ?
S2 Ag2 S5 C64 -2.7(3) . . . . ?
O19 Ag2 S5 C64 -118.4(3) . . . . ?
O25 Ag2 S5 C64 117.3(3) . . . . ?
C74 C73 S6 C68 106.7(6) . . . . ?
C78 C73 S6 C68 -74.7(7) . . . . ?
C67 C68 S6 C73 101.9(6) . . . . ?
C63 C68 S6 C73 -79.9(6) . . . . ?
C76 C75 S7 C83 82.9(6) . . . . ?
C74 C75 S7 C83 -104.4(6) . . . . ?
C84 C83 S7 C75 72.1(6) . . . . ?
C88 C83 S7 C75 -115.6(6) . . . . ?
C86 C85 S8 C93 113.9(7) . . . . ?
C84 C85 S8 C93 -64.7(7) . . . . ?
C98 C93 S8 C85 -47.9(7) . . . . ?
C94 C93 S8 C85 126.5(6) . . . . ?
