#------------------------------------------------------------------------------
#$Date: 2022-02-05 19:06:22 +0200 (Sat, 05 Feb 2022) $
#$Revision: 272804 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/63/1566319.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_1566319
loop_
_publ_author_name
'Oladipo, Segun D.'
'Omondi, Bernard'
_publ_section_title
;
 N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and
 Coordination Polymer
;
_journal_issue                   1
_journal_name_full               Molbank
_journal_page_first              M1327
_journal_paper_doi               10.3390/M1327
_journal_volume                  2022
_journal_year                    2022
_chemical_formula_moiety         'C156 H210 Ag6 N12 S12'
_chemical_formula_sum            'C156 H210 Ag6 N12 S12'
_chemical_formula_weight         3285.29
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   30.0941(6)
_cell_length_b                   30.0941(6)
_cell_length_c                   50.6555(11)
_cell_measurement_reflns_used    9504
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.41
_cell_measurement_theta_min      2.22
_cell_volume                     39730.1(14)
_computing_cell_refinement       'APEX2, Ver. 2011.4-1 [1]'
_computing_data_collection       'APEX2, Ver. 2011.4-1 [1]'
_computing_data_reduction        'APEX2, Ver. 2011.4-1 [1]'
_computing_molecular_graphics    'ORTEP-3 [3]'
_computing_publication_material  'SHELXL-2014/7 [2]'
_computing_structure_refinement  'SHELXL-2014/7 [2]'
_computing_structure_solution    'SHELXL-2014/7 [2]'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0582
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            91820
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.389
_diffrn_reflns_theta_min         1.614
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker 2012'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_description       block
_exptl_crystal_F_000             15336
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.597
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     862
_refine_ls_number_reflns         17643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_gt           0.0409
_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)+(0.0506P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.1009
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10880
_reflns_number_total             17643
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            s8.cif
_cod_data_source_block           AgDIsoFMDThio
_cod_original_cell_volume        39730(2)
_cod_database_code               1566319
_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   0.775
_shelx_estimated_absorpt_t_max   0.891
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C7 C 0.8618(2) 0.3658(2) 0.12549(11) 0.0669(15) Uani 1 1 d . . . . .
H7A H 0.861017 0.357371 0.106746 0.100 Uiso 1 1 calc R U . . .
H7B H 0.871607 0.402013 0.127288 0.100 Uiso 1 1 calc R U . . .
H7C H 0.827697 0.344242 0.133200 0.100 Uiso 1 1 calc R U . . .
C9 C 0.9077(2) 0.3753(2) 0.16803(12) 0.0833(19) Uani 1 1 d . . . . .
H9A H 0.874408 0.358897 0.176970 0.125 Uiso 1 1 calc R U . . .
H9B H 0.922188 0.412586 0.168007 0.125 Uiso 1 1 calc R U . . .
H9C H 0.931101 0.366827 0.177335 0.125 Uiso 1 1 calc R U . . .
C22 C 1.05459(19) 0.44815(18) 0.13707(8) 0.0502(12) Uani 1 1 d . . . . .
H22A H 1.029655 0.412098 0.140734 0.075 Uiso 1 1 calc R U . . .
H22B H 1.041955 0.470009 0.144258 0.075 Uiso 1 1 calc R U . . .
H22C H 1.087480 0.457133 0.145340 0.075 Uiso 1 1 calc R U . . .
C23 C 1.0285(2) 0.31336(19) 0.02214(9) 0.0560(13) Uani 1 1 d . . . . .
H23A H 1.064254 0.325896 0.017119 0.084 Uiso 1 1 calc R U . . .
H23B H 1.019871 0.340318 0.018998 0.084 Uiso 1 1 calc R U . . .
H23C H 1.005895 0.283088 0.011551 0.084 Uiso 1 1 calc R U . . .
C25 C 1.02707(19) 0.25145(19) 0.05506(10) 0.0575(13) Uani 1 1 d . . . . .
H25A H 1.000194 0.222658 0.045069 0.086 Uiso 1 1 calc R U . . .
H25B H 1.023870 0.242449 0.073833 0.086 Uiso 1 1 calc R U . . .
H25C H 1.060820 0.258917 0.048628 0.086 Uiso 1 1 calc R U . . .
C37 C 0.7516(2) 0.24903(19) -0.14961(8) 0.0611(14) Uani 1 1 d . . . . .
H37A H 0.735685 0.266855 -0.158121 0.092 Uiso 1 1 calc R U . . .
H37B H 0.726009 0.212643 -0.147496 0.092 Uiso 1 1 calc R U . . .
H37C H 0.779920 0.252325 -0.160594 0.092 Uiso 1 1 calc R U . . .
C56 C 0.80262(15) 0.46212(15) 0.07405(7) 0.0328(10) Uani 1 1 d . . . . .
C57 C 0.91878(18) 0.63953(18) 0.05991(10) 0.0574(14) Uani 1 1 d . . . . .
H57A H 0.920093 0.620709 0.044417 0.086 Uiso 1 1 calc R U . . .
H57B H 0.952702 0.669599 0.062906 0.086 Uiso 1 1 calc R U . . .
H57C H 0.893681 0.650686 0.056878 0.086 Uiso 1 1 calc R U . . .
C58 C 0.90283(17) 0.60429(16) 0.08431(9) 0.0453(12) Uani 1 1 d . . . . .
H58 H 0.929728 0.594659 0.087528 0.054 Uiso 1 1 calc R U . . .
C59 C 0.8999(2) 0.63246(19) 0.10855(10) 0.0624(15) Uani 1 1 d . . . . .
H59A H 0.874211 0.642896 0.105661 0.094 Uiso 1 1 calc R U . . .
H59B H 0.933458 0.662935 0.111700 0.094 Uiso 1 1 calc R U . . .
H59C H 0.890123 0.609713 0.123929 0.094 Uiso 1 1 calc R U . . .
C75 C 0.9853(2) 0.6256(2) 0.16902(10) 0.0741(18) Uani 1 1 d . . . . .
H75A H 0.952963 0.626085 0.168390 0.111 Uiso 1 1 calc R U . . .
H75B H 1.011485 0.654582 0.158835 0.111 Uiso 1 1 calc R U . . .
H75C H 0.996560 0.628423 0.187396 0.111 Uiso 1 1 calc R U . . .
C76 C 0.98393(14) 0.39456(14) 0.05468(7) 0.0291(9) Uani 1 1 d . . . . .
C77 C 0.89983(14) 0.34899(14) -0.03415(7) 0.0260(9) Uani 1 1 d . . . . .
S6 S 0.98696(4) 0.52172(4) 0.07956(2) 0.0368(3) Uani 1 1 d . . . . .
C1 C 0.91280(16) 0.28147(17) 0.12443(8) 0.0413(11) Uani 1 1 d . . . . .
C2 C 0.88483(17) 0.30000(19) 0.13794(9) 0.0493(12) Uani 1 1 d . . . . .
C3 C 0.83832(18) 0.26373(19) 0.14954(10) 0.0560(13) Uani 1 1 d . . . . .
H3 H 0.818002 0.275071 0.158442 0.067 Uiso 1 1 calc R U . . .
C4 C 0.8214(2) 0.2116(2) 0.14827(10) 0.0598(14) Uani 1 1 d . . . . .
H4 H 0.789600 0.187539 0.156010 0.072 Uiso 1 1 calc R U . . .
C5 C 0.85112(18) 0.1951(2) 0.13572(10) 0.0557(13) Uani 1 1 d . . . . .
H5 H 0.839768 0.159458 0.135347 0.067 Uiso 1 1 calc R U . . .
C6 C 0.89718(17) 0.22909(18) 0.12359(9) 0.0463(12) Uani 1 1 d . . . . .
C8 C 0.90089(18) 0.35615(18) 0.13990(10) 0.0534(13) Uani 1 1 d . . . . .
H8 H 0.934602 0.376243 0.130674 0.064 Uiso 1 1 calc R U . . .
C10 C 0.9006(2) 0.1866(2) 0.08244(10) 0.0633(15) Uani 1 1 d . . . . .
H10A H 0.867062 0.156109 0.085751 0.095 Uiso 1 1 calc R U . . .
H10B H 0.921821 0.176836 0.072012 0.095 Uiso 1 1 calc R U . . .
H10C H 0.895834 0.212011 0.072688 0.095 Uiso 1 1 calc R U . . .
C11 C 0.92712(17) 0.20952(18) 0.10880(9) 0.0461(12) Uani 1 1 d . . . . .
H11 H 0.961464 0.239784 0.104669 0.055 Uiso 1 1 calc R U . . .
C12 C 0.9364(2) 0.1717(2) 0.12458(10) 0.0611(14) Uani 1 1 d . . . . .
H12A H 0.953473 0.187646 0.141252 0.092 Uiso 1 1 calc R U . . .
H12B H 0.958236 0.162466 0.114346 0.092 Uiso 1 1 calc R U . . .
H12C H 0.903514 0.140788 0.128274 0.092 Uiso 1 1 calc R U . . .
C13 C 0.95194(16) 0.33390(16) 0.09010(8) 0.0355(10) Uani 1 1 d . . . . .
H13 H 0.917794 0.323246 0.084754 0.043 Uiso 1 1 calc R U . . .
C14 C 1.04415(14) 0.37783(15) 0.07992(7) 0.0307(9) Uani 1 1 d . . . . .
C15 C 1.07708(15) 0.41962(15) 0.09540(7) 0.0314(9) Uani 1 1 d . . . . .
C16 C 1.12621(15) 0.42700(18) 0.09926(8) 0.0389(11) Uani 1 1 d . . . . .
H16 H 1.150004 0.455027 0.109743 0.047 Uiso 1 1 calc R U . . .
C17 C 1.14077(16) 0.39524(18) 0.08844(8) 0.0427(12) Uani 1 1 d . . . . .
H17 H 1.174664 0.401614 0.091297 0.051 Uiso 1 1 calc R U . . .
C18 C 1.10761(15) 0.35406(17) 0.07342(8) 0.0378(10) Uani 1 1 d . . . . .
H18 H 1.118729 0.332165 0.066151 0.045 Uiso 1 1 calc R U . . .
C19 C 1.05799(15) 0.34386(16) 0.06869(8) 0.0349(10) Uani 1 1 d . . . . .
C20 C 1.10128(16) 0.51284(16) 0.10173(8) 0.0446(11) Uani 1 1 d . . . . .
H20A H 1.133325 0.522454 0.111102 0.067 Uiso 1 1 calc R U . . .
H20B H 1.087628 0.534657 0.107687 0.067 Uiso 1 1 calc R U . . .
H20C H 1.107927 0.517418 0.082702 0.067 Uiso 1 1 calc R U . . .
C21 C 1.06184(16) 0.45617(16) 0.10754(7) 0.0356(10) Uani 1 1 d . . . . .
H21 H 1.028269 0.448530 0.099681 0.043 Uiso 1 1 calc R U . . .
C24 C 1.02128(16) 0.29898(17) 0.05140(9) 0.0430(11) Uani 1 1 d . . . . .
H24 H 0.985453 0.289395 0.056441 0.052 Uiso 1 1 calc R U . . .
C26 C 0.73793(14) 0.25828(13) -0.07585(7) 0.0264(9) Uani 1 1 d . . . . .
C27 C 0.70023(14) 0.24827(14) -0.05671(8) 0.0324(9) Uani 1 1 d . . . . .
C28 C 0.65516(16) 0.24588(16) -0.06542(9) 0.0417(11) Uani 1 1 d . . . . .
H28 H 0.628944 0.239544 -0.053027 0.050 Uiso 1 1 calc R U . . .
C29 C 0.64784(17) 0.25254(16) -0.09169(10) 0.0461(12) Uani 1 1 d . . . . .
H29 H 0.617356 0.252034 -0.097081 0.055 Uiso 1 1 calc R U . . .
C30 C 0.68442(18) 0.25990(16) -0.11008(9) 0.0431(11) Uani 1 1 d . . . . .
H30 H 0.678178 0.263125 -0.128168 0.052 Uiso 1 1 calc R U . . .
C31 C 0.73039(15) 0.26275(14) -0.10290(8) 0.0316(10) Uani 1 1 d . . . . .
C32 C 0.71263(18) 0.28231(17) -0.01039(9) 0.0512(12) Uani 1 1 d . . . . .
H32A H 0.681773 0.285403 -0.011431 0.077 Uiso 1 1 calc R U . . .
H32B H 0.742440 0.314444 -0.016248 0.077 Uiso 1 1 calc R U . . .
H32C H 0.717843 0.275256 0.007892 0.077 Uiso 1 1 calc R U . . .
C33 C 0.70619(16) 0.23862(16) -0.02804(8) 0.0374(10) Uani 1 1 d . . . . .
H33 H 0.738268 0.236613 -0.026507 0.045 Uiso 1 1 calc R U . . .
C34 C 0.66167(17) 0.18713(17) -0.01868(9) 0.0508(12) Uani 1 1 d . . . . .
H34A H 0.629625 0.188079 -0.019484 0.076 Uiso 1 1 calc R U . . .
H34B H 0.667931 0.180737 -0.000461 0.076 Uiso 1 1 calc R U . . .
H34C H 0.658979 0.159607 -0.030109 0.076 Uiso 1 1 calc R U . . .
C35 C 0.81016(19) 0.33006(17) -0.12563(9) 0.0495(12) Uani 1 1 d . . . . .
H35A H 0.824401 0.344733 -0.108295 0.074 Uiso 1 1 calc R U . . .
H35B H 0.792474 0.347163 -0.132970 0.074 Uiso 1 1 calc R U . . .
H35C H 0.837996 0.335063 -0.137509 0.074 Uiso 1 1 calc R U . . .
C36 C 0.77211(17) 0.27268(16) -0.12269(7) 0.0388(11) Uani 1 1 d . . . . .
H36 H 0.791612 0.256458 -0.115554 0.047 Uiso 1 1 calc R U . . .
C38 C 0.81621(13) 0.30001(14) -0.05556(7) 0.0231(8) Uani 1 1 d . . . . .
H38 H 0.808348 0.326361 -0.052137 0.028 Uiso 1 1 calc R U . . .
C39 C 0.87082(14) 0.26171(14) -0.04946(7) 0.0257(9) Uani 1 1 d . . . . .
C40 C 0.89108(14) 0.25603(15) -0.07334(8) 0.0330(10) Uani 1 1 d . . . . .
C41 C 0.90179(16) 0.21538(17) -0.07440(9) 0.0427(11) Uani 1 1 d . . . . .
H41 H 0.915712 0.210211 -0.090168 0.051 Uiso 1 1 calc R U . . .
C42 C 0.89289(17) 0.18374(17) -0.05381(10) 0.0453(12) Uani 1 1 d . . . . .
H42 H 0.901620 0.157525 -0.055021 0.054 Uiso 1 1 calc R U . . .
C43 C 0.87104(16) 0.18924(16) -0.03082(9) 0.0425(11) Uani 1 1 d . . . . .
H43 H 0.864248 0.166247 -0.016532 0.051 Uiso 1 1 calc R U . . .
C44 C 0.85896(15) 0.22813(15) -0.02846(8) 0.0307(9) Uani 1 1 d . . . . .
C45 C 0.95862(18) 0.3328(2) -0.09724(9) 0.0630(16) Uani 1 1 d . . . . .
H45A H 0.979735 0.317098 -0.100894 0.095 Uiso 1 1 calc R U . . .
H45B H 0.968481 0.350405 -0.080168 0.095 Uiso 1 1 calc R U . . .
H45C H 0.963883 0.357550 -0.111168 0.095 Uiso 1 1 calc R U . . .
C46 C 0.90238(16) 0.29130(16) -0.09647(8) 0.0372(10) Uani 1 1 d . . . . .
H46 H 0.881592 0.308605 -0.094349 0.045 Uiso 1 1 calc R U . . .
C47 C 0.88765(18) 0.26279(19) -0.12290(8) 0.0513(13) Uani 1 1 d . . . . .
H47A H 0.852240 0.234242 -0.121986 0.077 Uiso 1 1 calc R U . . .
H47B H 0.910761 0.249444 -0.126649 0.077 Uiso 1 1 calc R U . . .
H47C H 0.890530 0.286436 -0.136969 0.077 Uiso 1 1 calc R U . . .
C48 C 0.86757(18) 0.24188(18) 0.02099(8) 0.0503(12) Uani 1 1 d . . . . .
H48A H 0.900259 0.273684 0.018331 0.075 Uiso 1 1 calc R U . . .
H48B H 0.873981 0.213288 0.023535 0.075 Uiso 1 1 calc R U . . .
H48C H 0.850362 0.245336 0.036632 0.075 Uiso 1 1 calc R U . . .
C49 C 0.83329(16) 0.23146(16) -0.00331(8) 0.0360(10) Uani 1 1 d . . . . .
H49 H 0.826833 0.260824 -0.005246 0.043 Uiso 1 1 calc R U . . .
C50 C 0.78159(17) 0.18277(17) 0.00048(8) 0.0454(11) Uani 1 1 d . . . . .
H50A H 0.787039 0.153856 0.004092 0.068 Uiso 1 1 calc R U . . .
H50B H 0.760999 0.175795 -0.015586 0.068 Uiso 1 1 calc R U . . .
H50C H 0.763493 0.187374 0.015378 0.068 Uiso 1 1 calc R U . . .
C51 C 0.84800(14) 0.50717(15) 0.07980(7) 0.0286(9) Uani 1 1 d . . . . .
C52 C 0.85203(15) 0.55525(16) 0.07950(8) 0.0332(10) Uani 1 1 d . . . . .
C53 C 0.80818(17) 0.55723(18) 0.07374(9) 0.0456(12) Uani 1 1 d . . . . .
H53 H 0.809538 0.589460 0.073948 0.055 Uiso 1 1 calc R U . . .
C54 C 0.76268(17) 0.51384(19) 0.06774(9) 0.0483(12) Uani 1 1 d . . . . .
H54 H 0.733106 0.516103 0.063559 0.058 Uiso 1 1 calc R U . . .
C55 C 0.76039(16) 0.46687(17) 0.06784(8) 0.0401(11) Uani 1 1 d . . . . .
H55 H 0.728933 0.436945 0.063525 0.048 Uiso 1 1 calc R U . . .
C60 C 0.78877(18) 0.38626(17) 0.04574(9) 0.0491(12) Uani 1 1 d . . . . .
H60A H 0.815794 0.410503 0.033899 0.074 Uiso 1 1 calc R U . . .
H60B H 0.755304 0.379692 0.039319 0.074 Uiso 1 1 calc R U . . .
H60C H 0.789334 0.353987 0.046205 0.074 Uiso 1 1 calc R U . . .
C61 C 0.79810(16) 0.40940(16) 0.07399(9) 0.0422(11) Uani 1 1 d . . . . .
H61 H 0.831227 0.413420 0.080607 0.051 Uiso 1 1 calc R U . . .
C62 C 0.7556(2) 0.37231(18) 0.09214(9) 0.0667(16) Uani 1 1 d . . . . .
H62A H 0.760136 0.387810 0.109658 0.100 Uiso 1 1 calc R U . . .
H62B H 0.756903 0.340503 0.093580 0.100 Uiso 1 1 calc R U . . .
H62C H 0.722311 0.364643 0.084900 0.100 Uiso 1 1 calc R U . . .
C63 C 0.90110(14) 0.50002(14) 0.11445(7) 0.0288(9) Uani 1 1 d . . . . .
H63 H 0.926500 0.491841 0.119652 0.035 Uiso 1 1 calc R U . . .
C64 C 0.88498(15) 0.49986(15) 0.15889(7) 0.0316(9) Uani 1 1 d . . . . .
C65 C 0.84288(16) 0.46204(16) 0.17329(8) 0.0365(10) Uani 1 1 d . . . . .
C66 C 0.85098(19) 0.45415(17) 0.19944(8) 0.0469(12) Uani 1 1 d . . . . .
H66 H 0.823558 0.428190 0.209429 0.056 Uiso 1 1 calc R U . . .
C67 C 0.89830(19) 0.48350(19) 0.21108(9) 0.0505(12) Uani 1 1 d . . . . .
H67 H 0.903139 0.477588 0.228994 0.061 Uiso 1 1 calc R U . . .
C68 C 0.93815(17) 0.52084(19) 0.19718(8) 0.0467(12) Uani 1 1 d . . . . .
H68 H 0.970441 0.540610 0.205611 0.056 Uiso 1 1 calc R U . . .
C69 C 0.93276(16) 0.53070(17) 0.17106(8) 0.0401(11) Uani 1 1 d . . . . .
C70 C 0.75504(18) 0.38089(18) 0.17265(11) 0.0633(15) Uani 1 1 d . . . . .
H70A H 0.772848 0.361347 0.174802 0.095 Uiso 1 1 calc R U . . .
H70B H 0.724869 0.361653 0.161372 0.095 Uiso 1 1 calc R U . . .
H70C H 0.744167 0.386485 0.189975 0.095 Uiso 1 1 calc R U . . .
C71 C 0.79075(16) 0.43192(17) 0.16006(9) 0.0445(11) Uani 1 1 d . . . . .
H71 H 0.797343 0.424326 0.141720 0.053 Uiso 1 1 calc R U . . .
C72 C 0.76497(17) 0.46410(19) 0.15728(10) 0.0553(13) Uani 1 1 d . . . . .
H72A H 0.756987 0.471914 0.174838 0.083 Uiso 1 1 calc R U . . .
H72B H 0.733188 0.444963 0.147122 0.083 Uiso 1 1 calc R U . . .
H72C H 0.788105 0.496155 0.148096 0.083 Uiso 1 1 calc R U . . .
C73 C 1.02572(19) 0.5716(2) 0.15853(11) 0.0751(18) Uani 1 1 d . . . . .
H73A H 1.034171 0.569530 0.177013 0.113 Uiso 1 1 calc R U . . .
H73B H 1.054174 0.601897 0.150262 0.113 Uiso 1 1 calc R U . . .
H73C H 1.019989 0.540671 0.149128 0.113 Uiso 1 1 calc R U . . .
C74 C 0.97723(16) 0.57558(17) 0.15727(8) 0.0439(12) Uani 1 1 d . . . . .
H74 H 0.967807 0.574630 0.138267 0.053 Uiso 1 1 calc R U . . .
C78 C 0.92943(14) 0.51068(14) 0.06937(7) 0.0286(9) Uani 1 1 d . . . . .
N1 N 0.95892(12) 0.31634(13) 0.11078(7) 0.0384(9) Uani 1 1 d . . . . .
N2 N 0.99266(11) 0.36893(12) 0.07432(6) 0.0282(7) Uani 1 1 d . . . . .
N3 N 0.78495(11) 0.26098(11) -0.06817(6) 0.0254(7) Uani 1 1 d . . . . .
N4 N 0.86283(11) 0.30545(11) -0.04636(6) 0.0247(7) Uani 1 1 d . . . . .
N5 N 0.89307(11) 0.50434(11) 0.08759(6) 0.0257(7) Uani 1 1 d . . . . .
N6 N 0.87505(12) 0.50683(12) 0.13188(6) 0.0308(8) Uani 1 1 d . . . . .
S1 S 0.92407(4) 0.38257(4) 0.04850(2) 0.0400(3) Uani 1 1 d . . . . .
S2 S 1.03897(4) 0.43920(4) 0.03814(2) 0.0272(2) Uani 1 1 d . . . . .
S3 S 0.88600(3) 0.39832(4) -0.02860(2) 0.0264(2) Uani 1 1 d . . . . .
S4 S 0.95361(4) 0.35000(4) -0.02473(2) 0.0333(2) Uani 1 1 d . . . . .
S5 S 0.91003(4) 0.50733(4) 0.03658(2) 0.0291(2) Uani 1 1 d . . . . .
Ag1 Ag 0.92845(2) 0.44348(2) 0.01406(2) 0.02976(8) Uani 1 1 d . . . . .
Ag2 Ag 1.01538(2) 0.43709(2) -0.00884(2) 0.02925(8) Uani 1 1 d . . . . .
Ag3 Ag 1.03475(2) 0.51918(2) 0.04027(2) 0.02886(8) 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'
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
C55 C56 C51 116.8(4) . . ?
C55 C56 C61 119.9(4) . . ?
C51 C56 C61 123.3(4) . . ?
C59 C58 C52 111.1(4) . . ?
C59 C58 C57 110.4(4) . . ?
C52 C58 C57 110.8(4) . . ?
N2 C76 S1 120.3(3) . . ?
N2 C76 S2 114.2(3) . . ?
S1 C76 S2 125.5(2) . . ?
N4 C77 S4 117.5(3) . . ?
N4 C77 S3 117.3(3) . . ?
S4 C77 S3 125.2(2) . . ?
C78 S6 Ag3 107.75(14) . . ?
C2 C1 C6 122.2(4) . . ?
C2 C1 N1 120.0(4) . . ?
C6 C1 N1 117.8(4) . . ?
C1 C2 C3 117.4(5) . . ?
C1 C2 C8 123.9(4) . . ?
C3 C2 C8 118.7(4) . . ?
C4 C3 C2 121.3(5) . . ?
C5 C4 C3 119.5(5) . . ?
C4 C5 C6 121.9(5) . . ?
C5 C6 C1 117.7(4) . . ?
C5 C6 C11 120.4(4) . . ?
C1 C6 C11 121.8(4) . . ?
C2 C8 C9 113.2(4) . . ?
C2 C8 C7 109.6(4) . . ?
C9 C8 C7 110.4(4) . . ?
C6 C11 C12 113.6(4) . . ?
C6 C11 C10 109.4(4) . . ?
C12 C11 C10 111.6(4) . . ?
N1 C13 N2 122.2(4) . . ?
C15 C14 C19 123.4(4) . . ?
C15 C14 N2 119.1(4) . . ?
C19 C14 N2 117.5(3) . . ?
C14 C15 C16 116.2(4) . . ?
C14 C15 C21 123.2(3) . . ?
C16 C15 C21 120.6(4) . . ?
C17 C16 C15 121.6(4) . . ?
C16 C17 C18 121.2(4) . . ?
C17 C18 C19 120.9(4) . . ?
C18 C19 C14 116.6(4) . . ?
C18 C19 C24 121.3(4) . . ?
C14 C19 C24 122.1(4) . . ?
C22 C21 C15 110.9(3) . . ?
C22 C21 C20 109.6(3) . . ?
C15 C21 C20 112.3(3) . . ?
C19 C24 C23 111.7(4) . . ?
C19 C24 C25 112.8(4) . . ?
C23 C24 C25 108.3(4) . . ?
C27 C26 C31 122.8(3) . . ?
C27 C26 N3 119.6(3) . . ?
C31 C26 N3 117.5(3) . . ?
C28 C27 C26 116.9(4) . . ?
C28 C27 C33 120.1(4) . . ?
C26 C27 C33 123.0(3) . . ?
C29 C28 C27 121.3(4) . . ?
C30 C29 C28 120.3(4) . . ?
C29 C30 C31 121.7(4) . . ?
C30 C31 C26 116.9(4) . . ?
C30 C31 C36 122.7(4) . . ?
C26 C31 C36 120.4(3) . . ?
C27 C33 C32 112.1(4) . . ?
C27 C33 C34 111.4(3) . . ?
C32 C33 C34 111.2(4) . . ?
C31 C36 C37 113.5(4) . . ?
C31 C36 C35 111.5(3) . . ?
C37 C36 C35 109.9(4) . . ?
N3 C38 N4 121.0(3) . . ?
C44 C39 C40 122.8(4) . . ?
C44 C39 N4 118.4(3) . . ?
C40 C39 N4 118.7(3) . . ?
C39 C40 C41 116.1(4) . . ?
C39 C40 C46 123.0(4) . . ?
C41 C40 C46 120.9(4) . . ?
C42 C41 C40 122.1(4) . . ?
C41 C42 C43 120.3(4) . . ?
C42 C43 C44 120.7(4) . . ?
C39 C44 C43 117.8(4) . . ?
C39 C44 C49 123.4(3) . . ?
C43 C44 C49 118.8(4) . . ?
C40 C46 C45 111.5(4) . . ?
C40 C46 C47 112.7(4) . . ?
C45 C46 C47 109.2(3) . . ?
C44 C49 C50 110.5(3) . . ?
C44 C49 C48 112.0(3) . . ?
C50 C49 C48 110.7(4) . . ?
C52 C51 C56 123.0(4) . . ?
C52 C51 N5 117.7(3) . . ?
C56 C51 N5 119.3(3) . . ?
C53 C52 C51 117.3(4) . . ?
C53 C52 C58 120.7(4) . . ?
C51 C52 C58 122.0(4) . . ?
C54 C53 C52 121.7(4) . . ?
C53 C54 C55 119.3(4) . . ?
C54 C55 C56 121.9(4) . . ?
C62 C61 C56 111.6(4) . . ?
C62 C61 C60 109.4(3) . . ?
C56 C61 C60 111.8(3) . . ?
N6 C63 N5 121.0(4) . . ?
C69 C64 C65 121.0(4) . . ?
C69 C64 N6 122.7(4) . . ?
C65 C64 N6 116.2(3) . . ?
C66 C65 C64 117.9(4) . . ?
C66 C65 C71 122.4(4) . . ?
C64 C65 C71 119.7(4) . . ?
C67 C66 C65 120.8(4) . . ?
C68 C67 C66 120.7(4) . . ?
C67 C68 C69 121.5(4) . . ?
C68 C69 C64 118.0(4) . . ?
C68 C69 C74 119.1(4) . . ?
C64 C69 C74 122.8(4) . . ?
C70 C71 C65 114.8(4) . . ?
C70 C71 C72 110.9(4) . . ?
C65 C71 C72 111.4(4) . . ?
C69 C74 C75 109.5(4) . . ?
C69 C74 C73 111.3(4) . . ?
C75 C74 C73 112.2(4) . . ?
N5 C78 S6 119.7(3) . . ?
N5 C78 S5 114.3(3) . . ?
S6 C78 S5 126.0(2) . . ?
C13 N1 C1 114.3(3) . . ?
C76 N2 C13 119.9(3) . . ?
C76 N2 C14 121.6(3) . . ?
C13 N2 C14 118.4(3) . . ?
C38 N3 C26 116.7(3) . . ?
C77 N4 C38 123.1(3) . . ?
C77 N4 C39 119.3(3) . . ?
C38 N4 C39 117.6(3) . . ?
C78 N5 C63 120.3(3) . . ?
C78 N5 C51 120.8(3) . . ?
C63 N5 C51 118.6(3) . . ?
C63 N6 C64 116.8(3) . . ?
C76 S1 Ag1 108.46(14) . . ?
C76 S2 Ag3 103.78(13) . . ?
C76 S2 Ag2 107.05(13) . . ?
Ag3 S2 Ag2 85.03(3) . . ?
C77 S3 Ag3 106.84(13) . 10_765 ?
C77 S3 Ag1 108.77(12) . . ?
Ag3 S3 Ag1 72.23(3) 10_765 . ?
C77 S4 Ag2 108.68(14) . . ?
C78 S5 Ag2 109.80(13) . 10_765 ?
C78 S5 Ag1 106.23(13) . . ?
Ag2 S5 Ag1 77.66(3) 10_765 . ?
S1 Ag1 S5 107.07(4) . . ?
S1 Ag1 S3 112.12(4) . . ?
S5 Ag1 S3 123.40(3) . . ?
S1 Ag1 Ag2 87.11(3) . . ?
S5 Ag1 Ag2 140.00(3) . . ?
S3 Ag1 Ag2 81.70(2) . . ?
S1 Ag1 Ag3 143.29(3) . 10_765 ?
S5 Ag1 Ag3 108.25(3) . 10_765 ?
S3 Ag1 Ag3 53.48(2) . 10_765 ?
Ag2 Ag1 Ag3 59.072(10) . 10_765 ?
S1 Ag1 Ag2 134.93(3) . 10_765 ?
S5 Ag1 Ag2 50.28(2) . 10_765 ?
S3 Ag1 Ag2 112.49(2) . 10_765 ?
Ag2 Ag1 Ag2 93.114(11) . 10_765 ?
Ag3 Ag1 Ag2 66.514(10) 10_765 10_765 ?
S1 Ag1 Ag3 84.12(3) . . ?
S5 Ag1 Ag3 77.81(2) . . ?
S3 Ag1 Ag3 143.73(2) . . ?
Ag2 Ag1 Ag3 66.420(10) . . ?
Ag3 Ag1 Ag3 93.746(11) 10_765 . ?
Ag2 Ag1 Ag3 55.506(9) 10_765 . ?
S5 Ag2 S4 118.80(3) 10_765 . ?
S5 Ag2 S2 112.28(3) 10_765 . ?
S4 Ag2 S2 113.25(3) . . ?
S5 Ag2 Ag3 83.31(3) 10_765 10_765 ?
S4 Ag2 Ag3 90.93(3) . 10_765 ?
S2 Ag2 Ag3 135.95(3) . 10_765 ?
S5 Ag2 Ag1 135.75(3) 10_765 . ?
S4 Ag2 Ag1 88.62(3) . . ?
S2 Ag2 Ag1 82.69(2) . . ?
Ag3 Ag2 Ag1 60.721(10) 10_765 . ?
S5 Ag2 Ag1 52.05(2) 10_765 10_765 ?
S4 Ag2 Ag1 151.63(3) . 10_765 ?
S2 Ag2 Ag1 93.93(2) . 10_765 ?
Ag3 Ag2 Ag1 62.603(10) 10_765 10_765 ?
Ag1 Ag2 Ag1 86.888(11) . 10_765 ?
S5 Ag2 Ag3 99.19(2) 10_765 . ?
S4 Ag2 Ag3 141.89(3) . . ?
S2 Ag2 Ag3 47.49(2) . . ?
Ag3 Ag2 Ag3 90.639(11) 10_765 . ?
Ag1 Ag2 Ag3 59.537(9) . . ?
Ag1 Ag2 Ag3 54.509(9) 10_765 . ?
S2 Ag3 S6 112.19(4) . . ?
S2 Ag3 S3 117.84(3) . 10_765 ?
S6 Ag3 S3 116.00(3) . 10_765 ?
S2 Ag3 Ag2 134.72(2) . 10_765 ?
S6 Ag3 Ag2 89.16(3) . 10_765 ?
S3 Ag3 Ag2 82.82(2) 10_765 10_765 ?
S2 Ag3 Ag1 97.87(2) . 10_765 ?
S6 Ag3 Ag1 147.63(3) . 10_765 ?
S3 Ag3 Ag1 54.29(2) 10_765 10_765 ?
Ag2 Ag3 Ag1 60.204(10) 10_765 10_765 ?
S2 Ag3 Ag1 78.78(2) . . ?
S6 Ag3 Ag1 88.03(2) . . ?
S3 Ag3 Ag1 137.49(2) 10_765 . ?
Ag2 Ag3 Ag1 61.891(10) 10_765 . ?
Ag1 Ag3 Ag1 86.253(11) 10_765 . ?
S2 Ag3 Ag2 47.49(2) . . ?
S6 Ag3 Ag2 136.90(3) . . ?
S3 Ag3 Ag2 106.51(2) 10_765 . ?
Ag2 Ag3 Ag2 89.359(11) 10_765 . ?
Ag1 Ag3 Ag2 58.979(9) 10_765 . ?
Ag1 Ag3 Ag2 54.042(8) . . ?
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
C7 C8 1.531(7) . ?
C9 C8 1.512(7) . ?
C22 C21 1.513(6) . ?
C23 C24 1.529(6) . ?
C25 C24 1.536(6) . ?
C37 C36 1.519(6) . ?
C56 C55 1.384(6) . ?
C56 C51 1.391(5) . ?
C56 C61 1.523(6) . ?
C57 C58 1.541(6) . ?
C58 C59 1.520(6) . ?
C58 C52 1.523(6) . ?
C75 C74 1.522(6) . ?
C76 N2 1.362(5) . ?
C76 S1 1.681(4) . ?
C76 S2 1.739(4) . ?
C77 N4 1.371(4) . ?
C77 S4 1.673(4) . ?
C77 S3 1.754(4) . ?
S6 C78 1.673(4) . ?
S6 Ag3 2.4792(10) . ?
C1 C2 1.399(6) . ?
C1 C6 1.402(6) . ?
C1 N1 1.431(5) . ?
C2 C3 1.403(6) . ?
C2 C8 1.511(6) . ?
C3 C4 1.387(7) . ?
C4 C5 1.376(6) . ?
C5 C6 1.388(6) . ?
C6 C11 1.500(6) . ?
C10 C11 1.532(6) . ?
C11 C12 1.526(6) . ?
C13 N1 1.238(5) . ?
C13 N2 1.400(5) . ?
C14 C15 1.390(5) . ?
C14 C19 1.403(6) . ?
C14 N2 1.462(5) . ?
C15 C16 1.395(5) . ?
C15 C21 1.518(6) . ?
C16 C17 1.351(6) . ?
C17 C18 1.369(6) . ?
C18 C19 1.387(5) . ?
C19 C24 1.523(6) . ?
C20 C21 1.543(6) . ?
C26 C27 1.406(5) . ?
C26 C31 1.406(5) . ?
C26 N3 1.430(4) . ?
C27 C28 1.394(5) . ?
C27 C33 1.509(6) . ?
C28 C29 1.380(6) . ?
C29 C30 1.373(6) . ?
C30 C31 1.391(6) . ?
C31 C36 1.515(6) . ?
C32 C33 1.520(6) . ?
C33 C34 1.531(6) . ?
C35 C36 1.529(6) . ?
C38 N3 1.252(4) . ?
C38 N4 1.408(4) . ?
C39 C44 1.386(5) . ?
C39 C40 1.403(5) . ?
C39 N4 1.460(4) . ?
C40 C41 1.413(6) . ?
C40 C46 1.501(6) . ?
C41 C42 1.346(6) . ?
C42 C43 1.387(6) . ?
C43 C44 1.394(5) . ?
C44 C49 1.519(6) . ?
C45 C46 1.520(6) . ?
C46 C47 1.531(6) . ?
C48 C49 1.534(6) . ?
C49 C50 1.525(6) . ?
C51 C52 1.390(5) . ?
C51 N5 1.456(5) . ?
C52 C53 1.382(6) . ?
C53 C54 1.373(6) . ?
C54 C55 1.380(6) . ?
C60 C61 1.554(6) . ?
C61 C62 1.516(6) . ?
C63 N6 1.264(5) . ?
C63 N5 1.399(5) . ?
C64 C69 1.405(5) . ?
C64 C65 1.411(5) . ?
C64 N6 1.438(5) . ?
C65 C66 1.389(6) . ?
C65 C71 1.520(6) . ?
C66 C67 1.377(6) . ?
C67 C68 1.360(6) . ?
C68 C69 1.383(6) . ?
C69 C74 1.515(6) . ?
C70 C71 1.507(6) . ?
C71 C72 1.520(6) . ?
C73 C74 1.525(7) . ?
C78 N5 1.370(5) . ?
C78 S5 1.747(4) . ?
S1 Ag1 2.4857(11) . ?
S2 Ag3 2.4751(10) . ?
S2 Ag2 2.4751(9) . ?
S3 Ag3 2.5061(10) 10_765 ?
S3 Ag1 2.5322(9) . ?
S4 Ag2 2.4699(10) . ?
S5 Ag2 2.4612(10) 10_765 ?
S5 Ag1 2.5231(10) . ?
Ag1 Ag2 2.9545(4) . ?
Ag1 Ag3 2.9695(4) 10_765 ?
Ag1 Ag2 3.1256(4) 10_765 ?
Ag1 Ag3 3.1461(4) . ?
Ag2 Ag3 2.9204(4) 10_765 ?
Ag2 Ag3 3.3452(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
C6 C1 C2 C3 -3.7(7) . . . . ?
N1 C1 C2 C3 176.1(4) . . . . ?
C6 C1 C2 C8 178.5(4) . . . . ?
N1 C1 C2 C8 -1.7(7) . . . . ?
C1 C2 C3 C4 1.7(7) . . . . ?
C8 C2 C3 C4 179.7(5) . . . . ?
C2 C3 C4 C5 0.9(8) . . . . ?
C3 C4 C5 C6 -1.7(8) . . . . ?
C4 C5 C6 C1 -0.2(7) . . . . ?
C4 C5 C6 C11 -176.6(5) . . . . ?
C2 C1 C6 C5 3.0(7) . . . . ?
N1 C1 C6 C5 -176.9(4) . . . . ?
C2 C1 C6 C11 179.3(4) . . . . ?
N1 C1 C6 C11 -0.5(6) . . . . ?
C1 C2 C8 C9 -121.5(5) . . . . ?
C3 C2 C8 C9 60.7(6) . . . . ?
C1 C2 C8 C7 114.8(5) . . . . ?
C3 C2 C8 C7 -63.0(6) . . . . ?
C5 C6 C11 C12 -51.1(6) . . . . ?
C1 C6 C11 C12 132.6(5) . . . . ?
C5 C6 C11 C10 74.4(5) . . . . ?
C1 C6 C11 C10 -101.8(5) . . . . ?
C19 C14 C15 C16 0.6(6) . . . . ?
N2 C14 C15 C16 -177.9(3) . . . . ?
C19 C14 C15 C21 -179.9(3) . . . . ?
N2 C14 C15 C21 1.6(5) . . . . ?
C14 C15 C16 C17 0.2(6) . . . . ?
C21 C15 C16 C17 -179.4(4) . . . . ?
C15 C16 C17 C18 -0.7(6) . . . . ?
C16 C17 C18 C19 0.5(6) . . . . ?
C17 C18 C19 C14 0.3(6) . . . . ?
C17 C18 C19 C24 178.3(4) . . . . ?
C15 C14 C19 C18 -0.8(6) . . . . ?
N2 C14 C19 C18 177.7(3) . . . . ?
C15 C14 C19 C24 -178.9(4) . . . . ?
N2 C14 C19 C24 -0.4(5) . . . . ?
C14 C15 C21 C22 107.7(4) . . . . ?
C16 C15 C21 C22 -72.8(5) . . . . ?
C14 C15 C21 C20 -129.4(4) . . . . ?
C16 C15 C21 C20 50.1(5) . . . . ?
C18 C19 C24 C23 -84.9(5) . . . . ?
C14 C19 C24 C23 93.1(5) . . . . ?
C18 C19 C24 C25 37.4(5) . . . . ?
C14 C19 C24 C25 -144.7(4) . . . . ?
C31 C26 C27 C28 -3.8(6) . . . . ?
N3 C26 C27 C28 -179.7(3) . . . . ?
C31 C26 C27 C33 174.2(4) . . . . ?
N3 C26 C27 C33 -1.7(5) . . . . ?
C26 C27 C28 C29 0.6(6) . . . . ?
C33 C27 C28 C29 -177.4(4) . . . . ?
C27 C28 C29 C30 2.4(6) . . . . ?
C28 C29 C30 C31 -2.4(7) . . . . ?
C29 C30 C31 C26 -0.6(6) . . . . ?
C29 C30 C31 C36 -177.8(4) . . . . ?
C27 C26 C31 C30 3.8(5) . . . . ?
N3 C26 C31 C30 179.8(3) . . . . ?
C27 C26 C31 C36 -179.0(3) . . . . ?
N3 C26 C31 C36 -3.0(5) . . . . ?
C28 C27 C33 C32 -71.3(5) . . . . ?
C26 C27 C33 C32 110.8(4) . . . . ?
C28 C27 C33 C34 54.0(5) . . . . ?
C26 C27 C33 C34 -123.9(4) . . . . ?
C30 C31 C36 C37 -34.3(6) . . . . ?
C26 C31 C36 C37 148.6(4) . . . . ?
C30 C31 C36 C35 90.5(5) . . . . ?
C26 C31 C36 C35 -86.6(4) . . . . ?
C44 C39 C40 C41 -3.6(5) . . . . ?
N4 C39 C40 C41 175.1(3) . . . . ?
C44 C39 C40 C46 177.9(4) . . . . ?
N4 C39 C40 C46 -3.4(5) . . . . ?
C39 C40 C41 C42 0.3(6) . . . . ?
C46 C40 C41 C42 178.8(4) . . . . ?
C40 C41 C42 C43 2.1(6) . . . . ?
C41 C42 C43 C44 -1.3(6) . . . . ?
C40 C39 C44 C43 4.3(6) . . . . ?
N4 C39 C44 C43 -174.4(3) . . . . ?
C40 C39 C44 C49 -175.2(3) . . . . ?
N4 C39 C44 C49 6.1(5) . . . . ?
C42 C43 C44 C39 -1.8(6) . . . . ?
C42 C43 C44 C49 177.8(4) . . . . ?
C39 C40 C46 C45 97.1(5) . . . . ?
C41 C40 C46 C45 -81.3(5) . . . . ?
C39 C40 C46 C47 -139.7(4) . . . . ?
C41 C40 C46 C47 41.9(5) . . . . ?
C39 C44 C49 C50 118.4(4) . . . . ?
C43 C44 C49 C50 -61.2(5) . . . . ?
C39 C44 C49 C48 -117.6(4) . . . . ?
C43 C44 C49 C48 62.8(5) . . . . ?
C55 C56 C51 C52 0.0(6) . . . . ?
C61 C56 C51 C52 179.2(4) . . . . ?
C55 C56 C51 N5 177.3(3) . . . . ?
C61 C56 C51 N5 -3.5(5) . . . . ?
C56 C51 C52 C53 1.4(6) . . . . ?
N5 C51 C52 C53 -175.9(3) . . . . ?
C56 C51 C52 C58 -176.4(4) . . . . ?
N5 C51 C52 C58 6.2(5) . . . . ?
C59 C58 C52 C53 63.3(5) . . . . ?
C57 C58 C52 C53 -59.8(5) . . . . ?
C59 C58 C52 C51 -118.9(4) . . . . ?
C57 C58 C52 C51 118.0(4) . . . . ?
C51 C52 C53 C54 -2.0(6) . . . . ?
C58 C52 C53 C54 175.9(4) . . . . ?
C52 C53 C54 C55 1.0(7) . . . . ?
C53 C54 C55 C56 0.6(7) . . . . ?
C51 C56 C55 C54 -1.0(6) . . . . ?
C61 C56 C55 C54 179.8(4) . . . . ?
C55 C56 C61 C62 -56.0(5) . . . . ?
C51 C56 C61 C62 124.8(4) . . . . ?
C55 C56 C61 C60 66.8(5) . . . . ?
C51 C56 C61 C60 -112.3(4) . . . . ?
C69 C64 C65 C66 -3.8(6) . . . . ?
N6 C64 C65 C66 179.9(4) . . . . ?
C69 C64 C65 C71 175.7(4) . . . . ?
N6 C64 C65 C71 -0.6(6) . . . . ?
C64 C65 C66 C67 1.9(6) . . . . ?
C71 C65 C66 C67 -177.5(4) . . . . ?
C65 C66 C67 C68 -0.1(7) . . . . ?
C66 C67 C68 C69 0.0(7) . . . . ?
C67 C68 C69 C64 -1.8(7) . . . . ?
C67 C68 C69 C74 175.1(4) . . . . ?
C65 C64 C69 C68 3.7(6) . . . . ?
N6 C64 C69 C68 179.8(4) . . . . ?
C65 C64 C69 C74 -173.0(4) . . . . ?
N6 C64 C69 C74 3.0(6) . . . . ?
C66 C65 C71 C70 -23.0(6) . . . . ?
C64 C65 C71 C70 157.5(4) . . . . ?
C66 C65 C71 C72 104.1(5) . . . . ?
C64 C65 C71 C72 -75.4(5) . . . . ?
C68 C69 C74 C75 -68.5(6) . . . . ?
C64 C69 C74 C75 108.2(5) . . . . ?
C68 C69 C74 C73 56.1(5) . . . . ?
C64 C69 C74 C73 -127.2(5) . . . . ?
Ag3 S6 C78 N5 172.8(3) . . . . ?
Ag3 S6 C78 S5 -8.5(3) . . . . ?
N2 C13 N1 C1 179.4(4) . . . . ?
C2 C1 N1 C13 -73.3(5) . . . . ?
C6 C1 N1 C13 106.5(5) . . . . ?
S1 C76 N2 C13 -2.5(5) . . . . ?
S2 C76 N2 C13 176.6(3) . . . . ?
S1 C76 N2 C14 178.9(3) . . . . ?
S2 C76 N2 C14 -2.0(5) . . . . ?
N1 C13 N2 C76 -167.4(4) . . . . ?
N1 C13 N2 C14 11.2(6) . . . . ?
C15 C14 N2 C76 82.0(5) . . . . ?
C19 C14 N2 C76 -96.5(4) . . . . ?
C15 C14 N2 C13 -96.5(4) . . . . ?
C19 C14 N2 C13 84.9(4) . . . . ?
N4 C38 N3 C26 177.9(3) . . . . ?
C27 C26 N3 C38 -73.1(4) . . . . ?
C31 C26 N3 C38 110.8(4) . . . . ?
S4 C77 N4 C38 -179.1(3) . . . . ?
S3 C77 N4 C38 3.2(4) . . . . ?
S4 C77 N4 C39 2.7(4) . . . . ?
S3 C77 N4 C39 -175.0(3) . . . . ?
N3 C38 N4 C77 175.1(3) . . . . ?
N3 C38 N4 C39 -6.7(5) . . . . ?
C44 C39 N4 C77 83.1(4) . . . . ?
C40 C39 N4 C77 -95.7(4) . . . . ?
C44 C39 N4 C38 -95.2(4) . . . . ?
C40 C39 N4 C38 86.1(4) . . . . ?
S6 C78 N5 C63 -8.8(5) . . . . ?
S5 C78 N5 C63 172.4(3) . . . . ?
S6 C78 N5 C51 164.9(3) . . . . ?
S5 C78 N5 C51 -13.9(4) . . . . ?
N6 C63 N5 C78 162.4(3) . . . . ?
N6 C63 N5 C51 -11.5(5) . . . . ?
C52 C51 N5 C78 -87.1(4) . . . . ?
C56 C51 N5 C78 95.4(4) . . . . ?
C52 C51 N5 C63 86.7(4) . . . . ?
C56 C51 N5 C63 -90.7(4) . . . . ?
N5 C63 N6 C64 178.0(3) . . . . ?
C69 C64 N6 C63 62.9(5) . . . . ?
C65 C64 N6 C63 -120.9(4) . . . . ?
N2 C76 S1 Ag1 175.0(3) . . . . ?
S2 C76 S1 Ag1 -3.9(3) . . . . ?
N2 C76 S2 Ag3 -127.5(3) . . . . ?
S1 C76 S2 Ag3 51.5(3) . . . . ?
N2 C76 S2 Ag2 143.5(2) . . . . ?
S1 C76 S2 Ag2 -37.4(3) . . . . ?
N4 C77 S3 Ag3 -137.1(2) . . . 10_765 ?
S4 C77 S3 Ag3 45.3(3) . . . 10_765 ?
N4 C77 S3 Ag1 146.4(2) . . . . ?
S4 C77 S3 Ag1 -31.2(3) . . . . ?
N4 C77 S4 Ag2 172.9(2) . . . . ?
S3 C77 S4 Ag2 -9.5(3) . . . . ?
N5 C78 S5 Ag2 148.8(2) . . . 10_765 ?
S6 C78 S5 Ag2 -30.0(3) . . . 10_765 ?
N5 C78 S5 Ag1 -128.8(2) . . . . ?
S6 C78 S5 Ag1 52.5(3) . . . . ?
