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#$Date: 2025-04-05 05:22:58 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298800 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/40/1574000.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_1574000
loop_
_publ_author_name
'Chandrashekar, Priyanka'
'Karmakar, Arun'
'Aparna, Ravari Kandy'
'Singh, Laddi'
'Mondal, Pradip Kumar'
'Kundu, Subrata'
'Bhattacharyya, Kalishankar'
'Mandal, Sukhendu'
_publ_section_title
;
 Linker driven site-specific catalysis in atomically precise silver
 cluster assemblies.
;
_journal_issue                   13
_journal_name_full               'Chemical science'
_journal_page_first              5726
_journal_page_last               5734
_journal_paper_doi               10.1039/d4sc08408j
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C45 H58 Ag6 F9 N4 O7 S3'
_chemical_formula_weight         1681.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-08-24 deposited with the CCDC.	2025-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.96(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.337(5)
_cell_length_b                   24.666(5)
_cell_length_c                   19.661(4)
_cell_measurement_reflns_used    11276
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      1.2
_cell_volume                     11549(5)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_collection       'XDS (Kabsch, 2010)'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Huber Kappa Goniometer, Pilatus 2M detector'
_diffrn_measurement_method       'Rotating crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.0972
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            92731
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         29.905
_diffrn_reflns_theta_min         1.171
_diffrn_source                   'Elettra Synchrotron - XRD1 BL'
_exptl_absorpt_coefficient_mu    2.101
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.934
_exptl_crystal_description       block
_exptl_crystal_F_000             6584
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.480
_refine_diff_density_min         -1.193
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         17230
_refine_ls_number_restraints     255
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0574P)²+37.1078P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1144
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15457
_reflns_number_total             17230
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc08408j2.cif
_cod_data_source_block           Ag12-bpa
_cod_depositor_comments
'Adding full bibliography for 1573999--1574002.cif.'
_cod_original_cell_volume        11549(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1574000
_shelx_shelxl_version_number     2018/3
_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   0.817
_shelx_estimated_absorpt_t_max   0.959
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ag1 Ag 0.64761(2) 0.20513(2) 0.44812(2) 0.02295(5) Uani 1 1 d . . . . .
Ag2 Ag 0.70630(2) 0.25604(2) 0.35067(2) 0.02580(6) Uani 1 1 d . . . . .
Ag3 Ag 0.82518(2) 0.31170(2) 0.38885(2) 0.02604(6) Uani 1 1 d . . . . .
Ag4 Ag 0.65889(2) 0.32564(2) 0.44138(2) 0.02159(5) Uani 1 1 d . . . . .
Ag5 Ag 0.80225(7) 0.14821(7) 0.39756(7) 0.0309(4) Uani 0.553(15) 1 d . . P A 1
Ag6 Ag 0.7667(2) 0.6009(2) 0.0065(3) 0.0315(4) Uani 0.553(15) 1 d . . P A 1
Ag7 Ag 0.79793(13) 0.1612(4) 0.3807(5) 0.0716(14) Uani 0.447(15) 1 d . . P A 2
Ag8 Ag 0.7601(3) 0.5979(3) 0.0101(4) 0.0365(8) Uani 0.447(15) 1 d . . P A 2
S1 S 0.63602(3) 0.27294(3) 0.53598(4) 0.01954(12) Uani 1 1 d . . . . .
S2 S 0.70064(3) 0.15901(3) 0.38219(3) 0.01905(11) Uani 1 1 d . . . . .
S3 S 0.73377(3) 0.34979(3) 0.38906(4) 0.01964(12) Uani 1 1 d . . . . .
F1 F 0.6267(3) 0.5357(2) 0.4185(5) 0.190(3) Uani 1 1 d . U . . .
F2 F 0.6153(3) 0.5326(2) 0.5091(4) 0.195(3) Uani 1 1 d . U . . .
F3 F 0.5546(2) 0.5028(2) 0.4187(4) 0.154(2) Uani 1 1 d . U . . .
F4 F 0.51296(17) 0.0720(3) 0.5353(2) 0.125(2) Uani 1 1 d . . . . .
F5 F 0.51643(19) 0.04777(15) 0.4321(3) 0.1004(15) Uani 1 1 d . . . . .
F6 F 0.46725(12) 0.11450(18) 0.43894(19) 0.0790(11) Uani 1 1 d . . . . .
F7 F 0.7050(4) 0.1838(3) 0.1043(3) 0.175(3) Uani 1 1 d . U . . .
F8 F 0.6346(4) 0.2279(4) 0.0809(3) 0.212(4) Uani 1 1 d . U . . .
F9 F 0.6975(6) 0.2675(5) 0.0944(4) 0.238(4) Uani 1 1 d . U . . .
O1 O 0.67274(10) 0.44315(11) 0.52595(14) 0.0334(5) Uani 1 1 d . . . . .
O2 O 0.61733(10) 0.41571(10) 0.41507(13) 0.0329(5) Uani 1 1 d . . . . .
O3 O 0.60737(11) 0.11796(10) 0.53878(14) 0.0347(5) Uani 1 1 d . . . . .
O4 O 0.56171(11) 0.15876(11) 0.43290(14) 0.0343(5) Uani 1 1 d . . . . .
O5 O 0.7459(2) 0.22795(17) 0.2418(2) 0.0770(14) Uani 1 1 d . . . . .
O6 O 0.6564(2) 0.24440(17) 0.2207(2) 0.0773(14) Uani 1 1 d . . . . .
N1 N 0.86076(13) 0.33059(11) 0.29839(15) 0.0290(5) Uani 1 1 d . . . . .
N2 N 0.84484(13) 0.11361(14) 0.32157(18) 0.0376(7) Uani 1 1 d . . . . .
N3 N 0.79674(11) 0.51329(11) 0.01638(14) 0.0272(5) Uani 1 1 d . . . . .
C1 C 0.55957(12) 0.28036(13) 0.51769(17) 0.0250(5) Uani 1 1 d . . . . .
H1 H 0.539631 0.252288 0.481284 0.030 Uiso 1 1 calc R U . . .
C2 C 0.54682(14) 0.26956(15) 0.5873(2) 0.0330(7) Uani 1 1 d . . . . .
H2A H 0.568146 0.295306 0.625386 0.040 Uiso 1 1 calc R U . . .
H2B H 0.558629 0.232312 0.604600 0.040 Uiso 1 1 calc R U . . .
C3 C 0.48338(16) 0.27628(18) 0.5726(2) 0.0420(8) Uani 1 1 d . . . . .
H3A H 0.462683 0.247456 0.539041 0.050 Uiso 1 1 calc R U . . .
H3B H 0.475953 0.271840 0.618595 0.050 Uiso 1 1 calc R U . . .
C4 C 0.46182(17) 0.33126(18) 0.5402(3) 0.0449(9) Uani 1 1 d . . . . .
H4A H 0.420649 0.332873 0.528809 0.054 Uiso 1 1 calc R U . . .
H4B H 0.479121 0.359967 0.576093 0.054 Uiso 1 1 calc R U . . .
C5 C 0.47533(15) 0.34162(18) 0.4719(2) 0.0423(8) Uani 1 1 d . . . . .
H5A H 0.463297 0.378728 0.454124 0.051 Uiso 1 1 calc R U . . .
H5B H 0.454277 0.315675 0.433899 0.051 Uiso 1 1 calc R U . . .
C6 C 0.53893(14) 0.33537(15) 0.4862(2) 0.0330(7) Uani 1 1 d . . . . .
H6A H 0.546370 0.340121 0.440337 0.040 Uiso 1 1 calc R U . . .
H6B H 0.559697 0.363915 0.520288 0.040 Uiso 1 1 calc R U . . .
C7 C 0.89042(14) 0.37529(13) 0.29852(18) 0.0290(6) Uani 1 1 d . . . . .
H7 H 0.895879 0.400793 0.336526 0.035 Uiso 1 1 calc R U . . .
C8 C 0.91362(15) 0.38608(14) 0.24541(18) 0.0315(6) Uani 1 1 d . . . . .
H8 H 0.934066 0.418648 0.247185 0.038 Uiso 1 1 calc R U . . .
C9 C 0.90692(16) 0.34922(13) 0.18959(18) 0.0313(6) Uani 1 1 d . . . . .
C10 C 0.8772(2) 0.30306(16) 0.1911(2) 0.0488(11) Uani 1 1 d . . . . .
H10 H 0.872178 0.276268 0.154701 0.059 Uiso 1 1 calc R U . . .
C11 C 0.8545(2) 0.29516(16) 0.2445(2) 0.0486(11) Uani 1 1 d . . . . .
H11 H 0.833445 0.263091 0.243312 0.058 Uiso 1 1 calc R U . . .
C12 C 0.63492(14) 0.44760(13) 0.46642(19) 0.0305(6) Uani 1 1 d . . . . .
C13 C 0.88626(16) 0.07846(18) 0.3508(2) 0.0402(8) Uani 1 1 d . . . . .
H13 H 0.886919 0.059265 0.392990 0.048 Uiso 1 1 calc R U . . .
C14 C 0.92811(18) 0.0687(2) 0.3227(3) 0.0573(14) Uani 1 1 d . . . . .
H14 H 0.957016 0.043412 0.345348 0.069 Uiso 1 1 calc R U . . .
C15 C 0.92787(19) 0.0962(4) 0.2609(3) 0.084(3) Uani 1 1 d . . . . .
C17 C 0.8832(2) 0.1298(4) 0.2286(3) 0.079(2) Uani 1 1 d . . . . .
H17 H 0.880177 0.147543 0.184545 0.095 Uiso 1 1 calc R U . . .
C18 C 0.8425(2) 0.1380(2) 0.2601(3) 0.0519(11) Uani 1 1 d . . . . .
H18 H 0.812021 0.161677 0.237165 0.062 Uiso 1 1 calc R U . . .
C19 C 0.65412(12) 0.12416(11) 0.30041(14) 0.0208(5) Uani 1 1 d . . . . .
H19 H 0.630555 0.152115 0.266763 0.025 Uiso 1 1 calc R U . . .
C20 C 0.68971(14) 0.09555(14) 0.26242(18) 0.0309(6) Uani 1 1 d . . . . .
H20A H 0.714498 0.068644 0.295566 0.037 Uiso 1 1 calc R U . . .
H20B H 0.713703 0.122378 0.249343 0.037 Uiso 1 1 calc R U . . .
C21 C 0.65178(16) 0.06689(17) 0.1939(2) 0.0402(8) Uani 1 1 d . . . . .
H21A H 0.628890 0.094138 0.159329 0.048 Uiso 1 1 calc R U . . .
H21B H 0.675272 0.047652 0.170385 0.048 Uiso 1 1 calc R U . . .
C22 C 0.61341(17) 0.02670(15) 0.2122(2) 0.0423(9) Uani 1 1 d . . . . .
H22A H 0.636256 -0.002180 0.243659 0.051 Uiso 1 1 calc R U . . .
H22B H 0.588393 0.009561 0.167247 0.051 Uiso 1 1 calc R U . . .
C23 C 0.57806(15) 0.05475(15) 0.2509(2) 0.0363(7) Uani 1 1 d . . . . .
H23A H 0.554750 0.027460 0.264429 0.044 Uiso 1 1 calc R U . . .
H23B H 0.552533 0.081113 0.217636 0.044 Uiso 1 1 calc R U . . .
C24 C 0.61514(14) 0.08437(14) 0.31917(18) 0.0303(6) Uani 1 1 d . . . . .
H24A H 0.591113 0.104194 0.341320 0.036 Uiso 1 1 calc R U . . .
H24B H 0.637709 0.057626 0.354828 0.036 Uiso 1 1 calc R U . . .
C25 C 0.77928(15) 0.47200(15) 0.04751(18) 0.0326(6) Uani 1 1 d . . . . .
H25 H 0.747266 0.477156 0.061524 0.039 Uiso 1 1 calc R U . . .
C26 C 0.80591(17) 0.42211(15) 0.0602(2) 0.0356(7) Uani 1 1 d . . . . .
H26 H 0.792051 0.393973 0.082475 0.043 Uiso 1 1 calc R U . . .
C27 C 0.85282(15) 0.41301(13) 0.04032(17) 0.0286(6) Uani 1 1 d . . . . .
C28 C 0.87048(16) 0.45618(15) 0.0073(2) 0.0346(7) Uani 1 1 d . . . . .
H28 H 0.902296 0.452077 -0.007424 0.042 Uiso 1 1 calc R U . . .
C29 C 0.84187(14) 0.50453(14) -0.0040(2) 0.0326(6) Uani 1 1 d . . . . .
H29 H 0.854375 0.533107 -0.027087 0.039 Uiso 1 1 calc R U . . .
C30 C 0.70246(12) 0.39723(11) 0.31300(15) 0.0222(5) Uani 1 1 d . . . . .
H30 H 0.662187 0.402931 0.307802 0.027 Uiso 1 1 calc R U . . .
C31 C 0.7046(2) 0.37395(16) 0.24277(19) 0.0429(9) Uani 1 1 d . . . . .
H31A H 0.681638 0.340501 0.230903 0.052 Uiso 1 1 calc R U . . .
H31B H 0.743783 0.364126 0.248778 0.052 Uiso 1 1 calc R U . . .
C32 C 0.6823(2) 0.41488(18) 0.1796(2) 0.0469(10) Uani 1 1 d . . . . .
H32A H 0.687510 0.399660 0.135690 0.056 Uiso 1 1 calc R U . . .
H32B H 0.641632 0.420701 0.168912 0.056 Uiso 1 1 calc R U . . .
C33 C 0.71250(19) 0.46832(18) 0.1977(2) 0.0450(10) Uani 1 1 d . . . . .
H33A H 0.752528 0.463240 0.203348 0.054 Uiso 1 1 calc R U . . .
H33B H 0.695935 0.494240 0.157662 0.054 Uiso 1 1 calc R U . . .
C34 C 0.70818(17) 0.49109(15) 0.2665(2) 0.0381(8) Uani 1 1 d . . . . .
H34A H 0.668299 0.498522 0.259693 0.046 Uiso 1 1 calc R U . . .
H34B H 0.728933 0.525817 0.277964 0.046 Uiso 1 1 calc R U . . .
C35 C 0.73232(16) 0.45147(13) 0.33017(19) 0.0335(7) Uani 1 1 d . . . . .
H35A H 0.772955 0.446246 0.339671 0.040 Uiso 1 1 calc R U . . .
H35B H 0.727709 0.466899 0.374284 0.040 Uiso 1 1 calc R U . . .
C36 C 0.93113(18) 0.35906(17) 0.1301(2) 0.0396(8) Uani 1 1 d . . . . .
H36A H 0.958196 0.329849 0.131151 0.048 Uiso 1 1 calc R U . . .
H36B H 0.951846 0.393852 0.139275 0.048 Uiso 1 1 calc R U . . .
C37 C 0.88529(19) 0.36086(15) 0.05420(19) 0.0386(8) Uani 1 1 d . . . . .
H37A H 0.903178 0.356154 0.017004 0.046 Uiso 1 1 calc R U . . .
H37B H 0.858996 0.330262 0.049571 0.046 Uiso 1 1 calc R U . . .
C38 C 0.9740(3) 0.1101(4) 0.2282(4) 0.032(2) Uani 0.490(16) 1 d . . P B 1
H38A H 0.970798 0.083863 0.188848 0.039 Uiso 0.490(16) 1 calc R U P B 1
H38B H 0.965594 0.146431 0.205771 0.039 Uiso 0.490(16) 1 calc R U P B 1
C51 C 0.9776(4) 0.0712(5) 0.2376(5) 0.053(4) Uani 0.510(16) 1 d . . P B 2
H51A H 0.967851 0.032331 0.229415 0.063 Uiso 0.510(16) 1 calc R U P B 2
H51B H 0.971122 0.086668 0.188930 0.063 Uiso 0.510(16) 1 calc R U P B 2
N43 N 0.5290(3) 0.3725(3) 0.2541(3) 0.0392(13) Uani 0.499(4) 1 d D U P C -1
C55 C 0.4905(4) 0.3870(4) 0.2913(5) 0.0457(19) Uani 0.499(4) 1 d D . P C -1
H55A H 0.466094 0.416568 0.265318 0.068 Uiso 0.499(4) 1 calc R U P C -1
H55B H 0.467529 0.355419 0.293098 0.068 Uiso 0.499(4) 1 calc R U P C -1
H55C H 0.511869 0.398729 0.340682 0.068 Uiso 0.499(4) 1 calc R U P C -1
C45 C 0.5277(4) 0.4058(4) 0.1924(5) 0.052(2) Uani 0.499(4) 1 d D U P C -1
H45A H 0.497139 0.432314 0.182569 0.078 Uiso 0.499(4) 1 calc R U P C -1
H45B H 0.563520 0.424897 0.203196 0.078 Uiso 0.499(4) 1 calc R U P C -1
H45C H 0.521380 0.382666 0.149833 0.078 Uiso 0.499(4) 1 calc R U P C -1
C16 C 0.5669(3) 0.3330(3) 0.2789(5) 0.0411(14) Uani 0.499(4) 1 d . U P C -1
H16 H 0.590509 0.328609 0.250714 0.049 Uiso 0.499(4) 1 calc R U P C -1
N46 N 0.5246(3) 0.2307(3) 0.2607(4) 0.0458(16) Uani 0.501(4) 1 d D U P C -2
C54 C 0.4828(5) 0.1963(5) 0.2650(10) 0.083(5) Uani 0.501(4) 1 d . . P C -2
H54A H 0.467224 0.176182 0.219578 0.124 Uiso 0.501(4) 1 calc R U P C -2
H54B H 0.498540 0.170778 0.305051 0.124 Uiso 0.501(4) 1 calc R U P C -2
H54C H 0.453008 0.217610 0.273553 0.124 Uiso 0.501(4) 1 calc R U P C -2
C47 C 0.5332(6) 0.2289(5) 0.1907(5) 0.075(3) Uani 0.501(4) 1 d D U P C -2
H47A H 0.507573 0.202288 0.159272 0.112 Uiso 0.501(4) 1 calc R U P C -2
H47B H 0.525551 0.264800 0.167919 0.112 Uiso 0.501(4) 1 calc R U P C -2
H47C H 0.572053 0.218592 0.197969 0.112 Uiso 0.501(4) 1 calc R U P C -2
C48 C 0.5529(4) 0.2623(4) 0.3112(6) 0.059(2) Uani 0.501(4) 1 d . U P C -2
H48 H 0.552979 0.244916 0.354371 0.071 Uiso 0.501(4) 1 calc R U P C -2
C39 C 0.6039(3) 0.5029(2) 0.4545(4) 0.0905(19) Uani 1 1 d . U . . .
C40 C 0.56718(13) 0.12692(13) 0.48345(17) 0.0275(6) Uani 1 1 d . . . . .
C41 C 0.51518(19) 0.0911(2) 0.4736(3) 0.0551(13) Uani 1 1 d . . . . .
C42 C 0.6953(4) 0.2340(2) 0.2018(3) 0.075(2) Uani 1 1 d . . . . .
C44 C 0.6868(5) 0.2273(4) 0.1226(3) 0.103(3) Uani 1 1 d . U . . .
O43 O 0.57818(19) 0.30082(18) 0.3305(2) 0.0824(14) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.9078 1.0765 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0170 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1218 0.1207 '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
O4 Ag1 S2 110.71(7) . . ?
O4 Ag1 S1 95.18(7) . . ?
S2 Ag1 S1 153.68(2) . . ?
O4 Ag1 Ag4 124.57(7) . . ?
S2 Ag1 Ag4 111.15(2) . . ?
S1 Ag1 Ag4 53.134(19) . . ?
O4 Ag1 Ag2 137.24(7) . . ?
S2 Ag1 Ag2 52.22(2) . . ?
S1 Ag1 Ag2 110.80(2) . . ?
Ag4 Ag1 Ag2 59.451(8) . . ?
O4 Ag1 Ag3 86.34(7) . 7_656 ?
S2 Ag1 Ag3 121.55(2) . 7_656 ?
S1 Ag1 Ag3 53.45(2) . 7_656 ?
Ag4 Ag1 Ag3 100.943(9) . 7_656 ?
Ag2 Ag1 Ag3 136.403(18) . 7_656 ?
O4 Ag1 Ag6 98.57(12) . 4_645 ?
S2 Ag1 Ag6 49.28(9) . 4_645 ?
S1 Ag1 Ag6 124.06(9) . 4_645 ?
Ag4 Ag1 Ag6 136.44(10) . 4_645 ?
Ag2 Ag1 Ag6 94.22(9) . 4_645 ?
Ag3 Ag1 Ag6 73.65(9) 7_656 4_645 ?
O6 Ag2 S3 114.93(9) . . ?
O6 Ag2 S2 95.39(9) . . ?
S3 Ag2 S2 149.61(3) . . ?
O6 Ag2 Ag4 121.16(14) . . ?
S3 Ag2 Ag4 53.777(19) . . ?
S2 Ag2 Ag4 109.44(2) . . ?
O6 Ag2 Ag1 114.59(12) . . ?
S3 Ag2 Ag1 109.89(2) . . ?
S2 Ag2 Ag1 50.887(16) . . ?
Ag4 Ag2 Ag1 59.065(16) . . ?
O6 Ag2 Ag3 114.16(12) . . ?
S3 Ag2 Ag3 51.031(18) . . ?
S2 Ag2 Ag3 119.35(2) . . ?
Ag4 Ag2 Ag3 98.77(2) . . ?
Ag1 Ag2 Ag3 130.99(2) . . ?
O6 Ag2 Ag7 100.93(19) . . ?
S3 Ag2 Ag7 121.25(7) . . ?
S2 Ag2 Ag7 49.60(16) . . ?
Ag4 Ag2 Ag7 135.94(17) . . ?
Ag1 Ag2 Ag7 93.5(2) . . ?
Ag3 Ag2 Ag7 72.64(11) . . ?
N1 Ag3 S3 122.21(8) . . ?
N1 Ag3 O3 85.85(10) . 7_656 ?
S3 Ag3 O3 101.02(7) . 7_656 ?
N1 Ag3 S1 115.99(7) . 7_656 ?
S3 Ag3 S1 118.70(3) . 7_656 ?
O3 Ag3 S1 100.60(7) 7_656 7_656 ?
N1 Ag3 Ag1 145.88(8) . 7_656 ?
S3 Ag3 Ag1 85.82(3) . 7_656 ?
O3 Ag3 Ag1 68.56(7) 7_656 7_656 ?
S1 Ag3 Ag1 51.666(19) 7_656 7_656 ?
N1 Ag3 Ag2 119.87(8) . . ?
S3 Ag3 Ag2 49.84(2) . . ?
O3 Ag3 Ag2 147.67(6) 7_656 . ?
S1 Ag3 Ag2 85.97(3) 7_656 . ?
Ag1 Ag3 Ag2 92.60(3) 7_656 . ?
O2 Ag4 S1 116.09(7) . . ?
O2 Ag4 O43 82.69(12) . . ?
S1 Ag4 O43 101.15(12) . . ?
O2 Ag4 S3 91.66(6) . . ?
S1 Ag4 S3 145.78(3) . . ?
O43 Ag4 S3 101.96(13) . . ?
O2 Ag4 Ag1 150.89(6) . . ?
S1 Ag4 Ag1 53.092(17) . . ?
O43 Ag4 Ag1 74.56(10) . . ?
S3 Ag4 Ag1 110.459(17) . . ?
O2 Ag4 Ag2 128.76(6) . . ?
S1 Ag4 Ag2 112.73(2) . . ?
O43 Ag4 Ag2 73.53(14) . . ?
S3 Ag4 Ag2 51.94(2) . . ?
Ag1 Ag4 Ag2 61.484(12) . . ?
O2 Ag4 Ag5 89.46(7) . 7_656 ?
S1 Ag4 Ag5 53.86(3) . 7_656 ?
O43 Ag4 Ag5 146.62(14) . 7_656 ?
S3 Ag4 Ag5 110.68(4) . 7_656 ?
Ag1 Ag4 Ag5 99.55(3) . 7_656 ?
Ag2 Ag4 Ag5 133.22(4) . 7_656 ?
O2 Ag4 Ag8 76.75(16) . 6_566 ?
S1 Ag4 Ag8 111.14(13) . 6_566 ?
O43 Ag4 Ag8 146.86(17) . 6_566 ?
S3 Ag4 Ag8 53.65(14) . 6_566 ?
Ag1 Ag4 Ag8 131.52(15) . 6_566 ?
Ag2 Ag4 Ag8 99.65(15) . 6_566 ?
Ag5 Ag4 Ag8 59.48(14) 7_656 6_566 ?
O2 Ag4 Ag6 79.32(13) . 6_566 ?
S1 Ag4 Ag6 112.65(10) . 6_566 ?
O43 Ag4 Ag6 145.99(15) . 6_566 ?
S3 Ag4 Ag6 50.42(9) . 6_566 ?
Ag1 Ag4 Ag6 129.30(11) . 6_566 ?
Ag2 Ag4 Ag6 95.89(10) . 6_566 ?
Ag5 Ag4 Ag6 61.95(10) 7_656 6_566 ?
O2 Ag4 Ag7 95.61(18) . 7_656 ?
S1 Ag4 Ag7 48.65(16) . 7_656 ?
O43 Ag4 Ag7 145.35(15) . 7_656 ?
S3 Ag4 Ag7 112.68(8) . 7_656 ?
Ag1 Ag4 Ag7 93.04(19) . 7_656 ?
Ag2 Ag4 Ag7 129.00(12) . 7_656 ?
Ag5 Ag4 Ag7 6.57(17) 7_656 7_656 ?
Ag6 Ag4 Ag7 65.60(15) 6_566 7_656 ?
N2 Ag5 S2 131.04(11) . . ?
N2 Ag5 S1 105.96(9) . 7_656 ?
S2 Ag5 S1 113.92(7) . 7_656 ?
N2 Ag5 Ag4 134.52(11) . 7_656 ?
S2 Ag5 Ag4 93.28(5) . 7_656 ?
S1 Ag5 Ag4 51.96(3) 7_656 7_656 ?
N2 Ag5 Ag6 136.41(15) . 4_645 ?
S2 Ag5 Ag6 50.44(11) . 4_645 ?
S1 Ag5 Ag6 109.76(10) 7_656 4_645 ?
Ag4 Ag5 Ag6 60.78(10) 7_656 4_645 ?
N3 Ag6 S3 122.6(2) . 6_565 ?
N3 Ag6 S2 117.8(2) . 4_655 ?
S3 Ag6 S2 115.9(2) 6_565 4_655 ?
N3 Ag6 Ag4 142.7(3) . 6_565 ?
S3 Ag6 Ag4 51.29(10) 6_565 6_565 ?
S2 Ag6 Ag4 90.48(16) 4_655 6_565 ?
N3 Ag6 Ag5 122.0(2) . 4_655 ?
S3 Ag6 Ag5 106.96(18) 6_565 4_655 ?
S2 Ag6 Ag5 50.26(10) 4_655 4_655 ?
Ag4 Ag6 Ag5 57.27(10) 6_565 4_655 ?
N3 Ag6 Ag1 123.3(2) . 4_655 ?
S3 Ag6 Ag1 81.43(15) 6_565 4_655 ?
S2 Ag6 Ag1 47.59(11) 4_655 4_655 ?
Ag4 Ag6 Ag1 93.52(15) 6_565 4_655 ?
Ag5 Ag6 Ag1 89.88(15) 4_655 4_655 ?
N2 Ag7 S2 134.21(14) . . ?
N2 Ag7 S1 108.86(12) . 7_656 ?
S2 Ag7 S1 116.90(10) . 7_656 ?
N2 Ag7 Ag2 139.5(5) . . ?
S2 Ag7 Ag2 49.95(12) . . ?
S1 Ag7 Ag2 85.80(19) 7_656 . ?
N2 Ag7 Ag4 123.7(4) . 7_656 ?
S2 Ag7 Ag4 87.7(2) . 7_656 ?
S1 Ag7 Ag4 48.48(14) 7_656 7_656 ?
Ag2 Ag7 Ag4 94.60(7) . 7_656 ?
N2 Ag7 Ag8 120.6(5) . 4_645 ?
S2 Ag7 Ag8 47.94(18) . 4_645 ?
S1 Ag7 Ag8 102.9(3) 7_656 4_645 ?
Ag2 Ag7 Ag8 90.54(14) . 4_645 ?
Ag4 Ag7 Ag8 55.3(2) 7_656 4_645 ?
N3 Ag8 S2 118.0(3) . 4_655 ?
N3 Ag8 O1 89.1(3) . 6_565 ?
S2 Ag8 O1 104.2(3) 4_655 6_565 ?
N3 Ag8 S3 118.8(3) . 6_565 ?
S2 Ag8 S3 112.3(3) 4_655 6_565 ?
O1 Ag8 S3 110.4(3) 6_565 6_565 ?
N3 Ag8 Ag4 147.8(3) . 6_565 ?
S2 Ag8 Ag4 91.9(2) 4_655 6_565 ?
O1 Ag8 Ag4 70.79(19) 6_565 6_565 ?
S3 Ag8 Ag4 51.67(11) 6_565 6_565 ?
N3 Ag8 Ag7 130.6(3) . 4_655 ?
S2 Ag8 Ag7 47.03(14) 4_655 4_655 ?
O1 Ag8 Ag7 61.3(3) 6_565 4_655 ?
S3 Ag8 Ag7 108.9(2) 6_565 4_655 ?
Ag4 Ag8 Ag7 61.30(16) 6_565 4_655 ?
C1 S1 Ag1 107.10(10) . . ?
C1 S1 Ag4 107.29(10) . . ?
Ag1 S1 Ag4 73.77(2) . . ?
C1 S1 Ag7 118.95(13) . 7_656 ?
Ag1 S1 Ag7 132.78(6) . 7_656 ?
Ag4 S1 Ag7 82.9(3) . 7_656 ?
C1 S1 Ag3 111.30(10) . 7_656 ?
Ag1 S1 Ag3 74.89(3) . 7_656 ?
Ag4 S1 Ag3 135.75(3) . 7_656 ?
C1 S1 Ag5 116.12(11) . 7_656 ?
Ag1 S1 Ag5 131.92(4) . 7_656 ?
Ag4 S1 Ag5 74.18(4) . 7_656 ?
Ag3 S1 Ag5 106.18(5) 7_656 7_656 ?
C19 S2 Ag1 112.03(9) . . ?
C19 S2 Ag7 109.96(14) . . ?
Ag1 S2 Ag7 136.59(6) . . ?
C19 S2 Ag2 107.72(9) . . ?
Ag1 S2 Ag2 76.89(2) . . ?
Ag7 S2 Ag2 80.5(3) . . ?
C19 S2 Ag5 112.32(10) . . ?
Ag1 S2 Ag5 135.65(5) . . ?
Ag2 S2 Ag5 89.32(4) . . ?
C19 S2 Ag6 114.56(15) . 4_645 ?
Ag1 S2 Ag6 83.14(13) . 4_645 ?
Ag2 S2 Ag6 137.46(12) . 4_645 ?
Ag5 S2 Ag6 79.30(13) . 4_645 ?
C19 S2 Ag8 113.92(17) . 4_645 ?
Ag1 S2 Ag8 87.91(19) . 4_645 ?
Ag2 S2 Ag8 138.36(14) . 4_645 ?
Ag5 S2 Ag8 74.88(18) . 4_645 ?
Ag6 S2 Ag8 4.9(3) 4_645 4_645 ?
C30 S3 Ag2 110.39(10) . . ?
C30 S3 Ag6 110.89(17) . 6_566 ?
Ag2 S3 Ag6 135.61(14) . 6_566 ?
C30 S3 Ag3 112.22(9) . . ?
Ag2 S3 Ag3 79.12(2) . . ?
Ag6 S3 Ag3 99.66(14) 6_566 . ?
C30 S3 Ag4 107.73(9) . . ?
Ag2 S3 Ag4 74.29(2) . . ?
Ag6 S3 Ag4 78.30(13) 6_566 . ?
Ag3 S3 Ag4 137.64(3) . . ?
C30 S3 Ag8 109.43(19) . 6_566 ?
Ag2 S3 Ag8 135.15(16) . 6_566 ?
Ag6 S3 Ag8 4.3(3) 6_566 6_566 ?
Ag3 S3 Ag8 103.94(19) . 6_566 ?
Ag4 S3 Ag8 74.69(17) . 6_566 ?
C12 O1 Ag8 110.1(3) . 6_566 ?
C12 O2 Ag4 113.4(2) . . ?
C40 O3 Ag3 125.1(2) . 7_656 ?
C40 O4 Ag1 110.9(2) . . ?
C42 O6 Ag2 99.4(4) . . ?
C7 N1 C11 117.1(3) . . ?
C7 N1 Ag3 122.4(2) . . ?
C11 N1 Ag3 120.5(2) . . ?
C13 N2 C18 118.1(4) . . ?
C13 N2 Ag7 126.4(4) . . ?
C18 N2 Ag7 111.4(5) . . ?
C13 N2 Ag5 116.1(3) . . ?
C18 N2 Ag5 122.6(3) . . ?
C25 N3 C29 117.3(3) . . ?
C25 N3 Ag8 122.1(3) . . ?
C29 N3 Ag8 120.2(3) . . ?
C25 N3 Ag6 127.4(3) . . ?
C29 N3 Ag6 114.7(3) . . ?
C6 C1 C2 111.9(3) . . ?
C6 C1 S1 111.2(2) . . ?
C2 C1 S1 109.5(2) . . ?
C6 C1 H1 108.0 . . ?
C2 C1 H1 108.0 . . ?
S1 C1 H1 108.0 . . ?
C1 C2 C3 109.8(3) . . ?
C1 C2 H2A 109.7 . . ?
C3 C2 H2A 109.7 . . ?
C1 C2 H2B 109.7 . . ?
C3 C2 H2B 109.7 . . ?
H2A C2 H2B 108.2 . . ?
C4 C3 C2 112.2(3) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C5 C4 C3 111.4(3) . . ?
C5 C4 H4A 109.4 . . ?
C3 C4 H4A 109.4 . . ?
C5 C4 H4B 109.4 . . ?
C3 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C4 C5 C6 111.0(3) . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C6 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C1 C6 C5 111.0(3) . . ?
C1 C6 H6A 109.4 . . ?
C5 C6 H6A 109.4 . . ?
C1 C6 H6B 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N1 C7 C8 122.7(3) . . ?
N1 C7 H7 118.7 . . ?
C8 C7 H7 118.7 . . ?
C7 C8 C9 120.0(3) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 116.5(3) . . ?
C10 C9 C36 121.3(3) . . ?
C8 C9 C36 122.2(3) . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 H10 119.6 . . ?
N1 C11 C10 123.0(4) . . ?
N1 C11 H11 118.5 . . ?
C10 C11 H11 118.5 . . ?
O2 C12 O1 131.5(3) . . ?
O2 C12 C39 114.4(4) . . ?
O1 C12 C39 114.2(4) . . ?
N2 C13 C14 122.9(5) . . ?
N2 C13 H13 118.6 . . ?
C14 C13 H13 118.6 . . ?
C13 C14 C15 119.6(5) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C17 C15 C14 117.1(4) . . ?
C17 C15 C38 107.1(6) . . ?
C14 C15 C38 133.7(5) . . ?
C17 C15 C51 134.8(6) . . ?
C14 C15 C51 107.1(7) . . ?
C15 C17 C18 120.2(5) . . ?
C15 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
N2 C18 C17 121.9(5) . . ?
N2 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C24 C19 C20 111.1(3) . . ?
C24 C19 S2 111.2(2) . . ?
C20 C19 S2 109.4(2) . . ?
C24 C19 H19 108.3 . . ?
C20 C19 H19 108.3 . . ?
S2 C19 H19 108.3 . . ?
C19 C20 C21 110.2(3) . . ?
C19 C20 H20A 109.6 . . ?
C21 C20 H20A 109.6 . . ?
C19 C20 H20B 109.6 . . ?
C21 C20 H20B 109.6 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 110.6(3) . . ?
C22 C21 H21A 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C21 C22 C23 110.8(3) . . ?
C21 C22 H22A 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C23 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 C24 111.3(3) . . ?
C22 C23 H23A 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C19 C24 C23 110.4(3) . . ?
C19 C24 H24A 109.6 . . ?
C23 C24 H24A 109.6 . . ?
C19 C24 H24B 109.6 . . ?
C23 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
N3 C25 C26 122.8(3) . . ?
N3 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
C25 C26 C27 120.3(3) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C28 116.6(3) . . ?
C26 C27 C37 123.7(3) . . ?
C28 C27 C37 119.7(3) . . ?
C29 C28 C27 120.1(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
N3 C29 C28 123.0(3) . . ?
N3 C29 H29 118.5 . . ?
C28 C29 H29 118.5 . . ?
C31 C30 C35 111.5(3) . . ?
C31 C30 S3 111.0(2) . . ?
C35 C30 S3 109.5(2) . . ?
C31 C30 H30 108.2 . . ?
C35 C30 H30 108.2 . . ?
S3 C30 H30 108.2 . . ?
C30 C31 C32 111.6(3) . . ?
C30 C31 H31A 109.3 . . ?
C32 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
C33 C32 C31 111.4(4) . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32B 109.4 . . ?
C31 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 110.7(3) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 C35 111.3(3) . . ?
C33 C34 H34A 109.4 . . ?
C35 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
C35 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C30 C35 C34 110.4(3) . . ?
C30 C35 H35A 109.6 . . ?
C34 C35 H35A 109.6 . . ?
C30 C35 H35B 109.6 . . ?
C34 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C9 C36 C37 112.4(3) . . ?
C9 C36 H36A 109.1 . . ?
C37 C36 H36A 109.1 . . ?
C9 C36 H36B 109.1 . . ?
C37 C36 H36B 109.1 . . ?
H36A C36 H36B 107.9 . . ?
C27 C37 C36 112.6(3) . . ?
C27 C37 H37A 109.1 . . ?
C36 C37 H37A 109.1 . . ?
C27 C37 H37B 109.1 . . ?
C36 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C38 C38 C15 117.6(7) 2_755 . ?
C38 C38 H38A 107.9 2_755 . ?
C15 C38 H38A 107.9 . . ?
C38 C38 H38B 107.9 2_755 . ?
C15 C38 H38B 107.9 . . ?
H38A C38 H38B 107.2 . . ?
C51 C51 C15 133.1(10) 2_755 . ?
C51 C51 H51A 103.9 2_755 . ?
C15 C51 H51A 103.9 . . ?
C51 C51 H51B 103.9 2_755 . ?
C15 C51 H51B 103.9 . . ?
H51A C51 H51B 105.4 . . ?
C16 N43 C55 121.1(7) . . ?
C16 N43 C45 121.7(7) . . ?
C55 N43 C45 117.0(7) . . ?
N43 C55 H55A 109.5 . . ?
N43 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
N43 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N43 C45 H45A 109.5 . . ?
N43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O43 C16 N43 134.5(8) . . ?
O43 C16 H16 112.8 . . ?
N43 C16 H16 112.8 . . ?
C48 N46 C54 124.5(12) . . ?
C48 N46 C47 121.7(11) . . ?
C54 N46 C47 113.7(12) . . ?
N46 C54 H54A 109.5 . . ?
N46 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N46 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N46 C47 H47A 109.5 . . ?
N46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O43 C48 N46 151.0(12) . . ?
O43 C48 H48 104.5 . . ?
N46 C48 H48 104.5 . . ?
F3 C39 F2 113.0(8) . . ?
F3 C39 F1 104.0(7) . . ?
F2 C39 F1 94.8(7) . . ?
F3 C39 C12 117.2(5) . . ?
F2 C39 C12 115.4(5) . . ?
F1 C39 C12 109.1(7) . . ?
O3 C40 O4 131.0(3) . . ?
O3 C40 C41 115.0(3) . . ?
O4 C40 C41 114.0(3) . . ?
F6 C41 F4 108.3(5) . . ?
F6 C41 F5 104.1(4) . . ?
F4 C41 F5 106.9(5) . . ?
F6 C41 C40 114.4(4) . . ?
F4 C41 C40 113.0(4) . . ?
F5 C41 C40 109.5(4) . . ?
O6 C42 O5 126.9(5) . . ?
O6 C42 C44 120.2(8) . . ?
O5 C42 C44 112.9(8) . . ?
F9 C44 F7 113.9(10) . . ?
F9 C44 F8 92.3(9) . . ?
F7 C44 F8 102.9(8) . . ?
F9 C44 C42 114.0(8) . . ?
F7 C44 C42 116.6(7) . . ?
F8 C44 C42 114.0(9) . . ?
C48 O43 Ag4 134.0(6) . . ?
C16 O43 Ag4 116.5(4) . . ?
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 O4 2.386(2) . ?
Ag1 S2 2.4430(8) . ?
Ag1 S1 2.4929(8) . ?
Ag1 Ag4 2.9935(7) . ?
Ag1 Ag2 3.0666(7) . ?
Ag1 Ag3 3.0682(8) 7_656 ?
Ag1 Ag6 3.285(6) 4_645 ?
Ag2 O6 2.451(4) . ?
Ag2 S3 2.4583(8) . ?
Ag2 S2 2.4886(8) . ?
Ag2 Ag4 3.0055(6) . ?
Ag2 Ag3 3.1587(7) . ?
Ag2 Ag7 3.206(8) . ?
Ag3 N1 2.299(3) . ?
Ag3 S3 2.5007(8) . ?
Ag3 O3 2.509(2) 7_656 ?
Ag3 S1 2.5530(8) 7_656 ?
Ag4 O2 2.437(2) . ?
Ag4 S1 2.4943(8) . ?
Ag4 O43 2.503(3) . ?
Ag4 S3 2.5188(8) . ?
Ag4 Ag5 3.0469(16) 7_656 ?
Ag4 Ag8 3.097(6) 6_566 ?
Ag4 Ag6 3.161(6) 6_566 ?
Ag4 Ag7 3.306(9) 7_656 ?
Ag5 N2 2.286(3) . ?
Ag5 S2 2.5018(19) . ?
Ag5 S1 2.5574(18) 7_656 ?
Ag5 Ag6 3.197(5) 4_645 ?
Ag6 N3 2.278(6) . ?
Ag6 S3 2.488(5) 6_565 ?
Ag6 S2 2.508(6) 4_655 ?
Ag7 N2 2.254(4) . ?
Ag7 S2 2.476(3) . ?
Ag7 S1 2.501(3) 7_656 ?
Ag7 Ag8 3.371(10) 4_645 ?
Ag8 N3 2.270(7) . ?
Ag8 S2 2.512(7) 4_655 ?
Ag8 O1 2.548(9) 6_565 ?
Ag8 S3 2.587(7) 6_565 ?
S1 C1 1.854(3) . ?
S2 C19 1.849(3) . ?
S3 C30 1.850(3) . ?
F1 C39 1.331(12) . ?
F2 C39 1.251(8) . ?
F3 C39 1.206(8) . ?
F4 C41 1.321(5) . ?
F5 C41 1.351(7) . ?
F6 C41 1.307(7) . ?
F7 C44 1.267(10) . ?
F8 C44 1.296(13) . ?
F9 C44 1.211(12) . ?
O1 C12 1.239(4) . ?
O2 C12 1.237(4) . ?
O3 C40 1.230(4) . ?
O4 C40 1.237(4) . ?
O5 C42 1.263(9) . ?
O6 C42 1.195(10) . ?
N1 C7 1.334(4) . ?
N1 C11 1.340(5) . ?
N2 C13 1.331(6) . ?
N2 C18 1.333(6) . ?
N3 C25 1.339(5) . ?
N3 C29 1.351(4) . ?
C1 C6 1.509(5) . ?
C1 C2 1.533(4) . ?
C1 H1 1.0000 . ?
C2 C3 1.542(5) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.519(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.517(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.546(5) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.388(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.390(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.371(5) . ?
C9 C36 1.514(5) . ?
C10 C11 1.373(6) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C39 1.551(6) . ?
C13 C14 1.374(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.389(9) . ?
C14 H14 0.9500 . ?
C15 C17 1.371(11) . ?
C15 C38 1.552(8) . ?
C15 C51 1.603(10) . ?
C17 C18 1.388(7) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.524(4) . ?
C19 C20 1.526(4) . ?
C19 H19 1.0000 . ?
C20 C21 1.535(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.516(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.524(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.536(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.385(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.398(5) . ?
C27 C37 1.501(5) . ?
C28 C29 1.374(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.513(5) . ?
C30 C35 1.517(4) . ?
C30 H30 1.0000 . ?
C31 C32 1.550(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.504(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.502(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.540(5) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.547(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C38 1.305(15) 2_755 ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C51 C51 1.071(18) 2_755 ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
N43 C16 1.337(10) . ?
N43 C55 1.451(9) . ?
N43 C45 1.455(7) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C16 O43 1.243(10) . ?
C16 H16 0.9500 . ?
N46 C48 1.273(10) . ?
N46 C54 1.382(12) . ?
N46 C47 1.466(8) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 O43 1.137(10) . ?
C48 H48 0.9500 . ?
C40 C41 1.543(5) . ?
C42 C44 1.507(8) . ?
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
Ag1 S1 C1 C6 -111.0(2) . . . . ?
Ag4 S1 C1 C6 -33.2(2) . . . . ?
Ag7 S1 C1 C6 58.2(4) 7_656 . . . ?
Ag3 S1 C1 C6 168.9(2) 7_656 . . . ?
Ag5 S1 C1 C6 47.3(3) 7_656 . . . ?
Ag1 S1 C1 C2 124.8(2) . . . . ?
Ag4 S1 C1 C2 -157.3(2) . . . . ?
Ag7 S1 C1 C2 -66.0(4) 7_656 . . . ?
Ag3 S1 C1 C2 44.8(2) 7_656 . . . ?
Ag5 S1 C1 C2 -76.8(2) 7_656 . . . ?
C6 C1 C2 C3 55.6(4) . . . . ?
S1 C1 C2 C3 179.4(3) . . . . ?
C1 C2 C3 C4 -54.8(4) . . . . ?
C2 C3 C4 C5 55.4(5) . . . . ?
C3 C4 C5 C6 -54.9(5) . . . . ?
C2 C1 C6 C5 -56.5(4) . . . . ?
S1 C1 C6 C5 -179.4(3) . . . . ?
C4 C5 C6 C1 55.7(4) . . . . ?
C11 N1 C7 C8 0.9(5) . . . . ?
Ag3 N1 C7 C8 177.8(3) . . . . ?
N1 C7 C8 C9 -0.8(5) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C7 C8 C9 C36 179.7(3) . . . . ?
C8 C9 C10 C11 1.4(7) . . . . ?
C36 C9 C10 C11 -178.7(4) . . . . ?
C7 N1 C11 C10 0.2(7) . . . . ?
Ag3 N1 C11 C10 -176.8(4) . . . . ?
C9 C10 C11 N1 -1.4(8) . . . . ?
Ag4 O2 C12 O1 6.7(5) . . . . ?
Ag4 O2 C12 C39 -172.8(4) . . . . ?
Ag8 O1 C12 O2 45.4(5) 6_566 . . . ?
Ag8 O1 C12 C39 -135.1(5) 6_566 . . . ?
C18 N2 C13 C14 3.8(6) . . . . ?
Ag7 N2 C13 C14 -151.0(4) . . . . ?
Ag5 N2 C13 C14 -156.3(3) . . . . ?
N2 C13 C14 C15 -0.3(7) . . . . ?
C13 C14 C15 C17 -3.6(8) . . . . ?
C13 C14 C15 C38 157.4(7) . . . . ?
C13 C14 C15 C51 -174.0(5) . . . . ?
C14 C15 C17 C18 4.0(10) . . . . ?
C38 C15 C17 C18 -161.8(6) . . . . ?
C51 C15 C17 C18 171.0(7) . . . . ?
C13 N2 C18 C17 -3.4(6) . . . . ?
Ag7 N2 C18 C17 155.0(4) . . . . ?
Ag5 N2 C18 C17 155.4(4) . . . . ?
C15 C17 C18 N2 -0.5(9) . . . . ?
Ag1 S2 C19 C24 -56.0(2) . . . . ?
Ag7 S2 C19 C24 135.3(4) . . . . ?
Ag2 S2 C19 C24 -138.64(19) . . . . ?
Ag5 S2 C19 C24 124.6(2) . . . . ?
Ag6 S2 C19 C24 36.5(3) 4_645 . . . ?
Ag8 S2 C19 C24 41.9(3) 4_645 . . . ?
Ag1 S2 C19 C20 -179.16(18) . . . . ?
Ag7 S2 C19 C20 12.1(4) . . . . ?
Ag2 S2 C19 C20 98.2(2) . . . . ?
Ag5 S2 C19 C20 1.4(2) . . . . ?
Ag6 S2 C19 C20 -86.7(3) 4_645 . . . ?
Ag8 S2 C19 C20 -81.3(3) 4_645 . . . ?
C24 C19 C20 C21 57.4(4) . . . . ?
S2 C19 C20 C21 -179.4(3) . . . . ?
C19 C20 C21 C22 -57.7(4) . . . . ?
C20 C21 C22 C23 57.2(4) . . . . ?
C21 C22 C23 C24 -56.3(4) . . . . ?
C20 C19 C24 C23 -56.2(4) . . . . ?
S2 C19 C24 C23 -178.4(2) . . . . ?
C22 C23 C24 C19 55.5(4) . . . . ?
C29 N3 C25 C26 1.0(5) . . . . ?
Ag8 N3 C25 C26 -171.5(3) . . . . ?
Ag6 N3 C25 C26 -170.2(3) . . . . ?
N3 C25 C26 C27 -0.1(6) . . . . ?
C25 C26 C27 C28 -0.5(5) . . . . ?
C25 C26 C27 C37 177.9(4) . . . . ?
C26 C27 C28 C29 0.1(5) . . . . ?
C37 C27 C28 C29 -178.3(4) . . . . ?
C25 N3 C29 C28 -1.3(5) . . . . ?
Ag8 N3 C29 C28 171.2(4) . . . . ?
Ag6 N3 C29 C28 171.0(3) . . . . ?
C27 C28 C29 N3 0.8(6) . . . . ?
Ag2 S3 C30 C31 -40.3(3) . . . . ?
Ag6 S3 C30 C31 156.4(3) 6_566 . . . ?
Ag3 S3 C30 C31 46.0(3) . . . . ?
Ag4 S3 C30 C31 -119.7(3) . . . . ?
Ag8 S3 C30 C31 160.8(3) 6_566 . . . ?
Ag2 S3 C30 C35 -163.9(2) . . . . ?
Ag6 S3 C30 C35 32.8(3) 6_566 . . . ?
Ag3 S3 C30 C35 -77.7(2) . . . . ?
Ag4 S3 C30 C35 116.7(2) . . . . ?
Ag8 S3 C30 C35 37.2(3) 6_566 . . . ?
C35 C30 C31 C32 -53.5(5) . . . . ?
S3 C30 C31 C32 -176.0(3) . . . . ?
C30 C31 C32 C33 53.9(5) . . . . ?
C31 C32 C33 C34 -55.9(5) . . . . ?
C32 C33 C34 C35 57.9(4) . . . . ?
C31 C30 C35 C34 54.9(4) . . . . ?
S3 C30 C35 C34 178.2(3) . . . . ?
C33 C34 C35 C30 -57.2(4) . . . . ?
C10 C9 C36 C37 60.3(5) . . . . ?
C8 C9 C36 C37 -119.8(4) . . . . ?
C26 C27 C37 C36 -86.5(5) . . . . ?
C28 C27 C37 C36 91.9(4) . . . . ?
C9 C36 C37 C27 75.8(4) . . . . ?
C17 C15 C38 C38 140.9(4) . . . 2_755 ?
C14 C15 C38 C38 -21.5(10) . . . 2_755 ?
C17 C15 C51 C51 126.4(11) . . . 2_755 ?
C14 C15 C51 C51 -65.7(12) . . . 2_755 ?
C55 N43 C16 O43 2.4(13) . . . . ?
C45 N43 C16 O43 177.2(8) . . . . ?
C54 N46 C48 O43 -152(2) . . . . ?
C47 N46 C48 O43 26(3) . . . . ?
O2 C12 C39 F3 33.1(10) . . . . ?
O1 C12 C39 F3 -146.5(8) . . . . ?
O2 C12 C39 F2 170.1(8) . . . . ?
O1 C12 C39 F2 -9.5(11) . . . . ?
O2 C12 C39 F1 -84.7(7) . . . . ?
O1 C12 C39 F1 95.8(7) . . . . ?
Ag3 O3 C40 O4 36.9(5) 7_656 . . . ?
Ag3 O3 C40 C41 -145.6(3) 7_656 . . . ?
Ag1 O4 C40 O3 3.5(5) . . . . ?
Ag1 O4 C40 C41 -174.0(3) . . . . ?
O3 C40 C41 F6 149.0(4) . . . . ?
O4 C40 C41 F6 -33.1(6) . . . . ?
O3 C40 C41 F4 24.4(7) . . . . ?
O4 C40 C41 F4 -157.6(5) . . . . ?
O3 C40 C41 F5 -94.6(4) . . . . ?
O4 C40 C41 F5 83.3(5) . . . . ?
Ag2 O6 C42 O5 4.1(6) . . . . ?
Ag2 O6 C42 C44 -175.3(5) . . . . ?
O6 C42 C44 F9 97.2(12) . . . . ?
O5 C42 C44 F9 -82.3(12) . . . . ?
O6 C42 C44 F7 -126.8(10) . . . . ?
O5 C42 C44 F7 53.7(11) . . . . ?
O6 C42 C44 F8 -7.1(11) . . . . ?
O5 C42 C44 F8 173.5(8) . . . . ?
N46 C48 O43 Ag4 -148.4(16) . . . . ?
N43 C16 O43 Ag4 -98.8(9) . . . . ?
