#------------------------------------------------------------------------------
#$Date: 2019-05-15 03:48:35 +0300 (Wed, 15 May 2019) $
#$Revision: 215154 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/34/7123456.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_7123456
loop_
_publ_author_name
'Nan, Zi-Ang'
'Xiao, Ying'
'Liu, Xiyan'
'Wang, Tan'
'Cheng, Xiaoling'
'Yang, Yang'
'Lei, Zhen'
'Wang, Quan-Ming'
_publ_section_title
;
 Monitoring the Growth of Ag-S Clusters through Crystallization of
 Intermediate Clusters
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC03533H
_journal_year                    2019
_chemical_formula_moiety         'C27 H45 Ag7 F6 N1.5 O4 S5'
_chemical_formula_sum            'C27 H51 Ag7 F6 N1.5 O4 S5'
_chemical_formula_weight         1490.08
_chemical_name_systematic
;
 ?
;
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-10-30
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2019-03-31 deposited with the CCDC.    2019-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.162(15)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.722(4)
_cell_length_b                   14.7379(8)
_cell_length_c                   25.503(3)
_cell_measurement_temperature    293(2)
_cell_volume                     9016(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0865
_diffrn_reflns_av_unetI/netI     0.1637
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.857
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            20118
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.857
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.842
_diffrn_reflns_theta_min         2.861
_exptl_absorpt_coefficient_mu    3.265
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.97911
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_description       block
_exptl_crystal_F_000             5748
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.659
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         10104
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1755
_refine_ls_R_factor_gt           0.0841
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0187P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1281
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5207
_reflns_number_total             10104
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc03533h2.cif
_cod_data_source_block           p
_cod_original_formula_sum        'C27 H51 Ag7 F6 N1.50 O4 S5'
_cod_database_code               7123456
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C0AA-N11
 1.15 with sigma of 0.02
 N11-C28
 2.69 with sigma of 0.02
 C0AA-C28
 1.54 with sigma of 0.02
3. Rigid bond restraints
 N2, N11, C0AA, C28, Ag6
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(F6A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C29) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C0AA) \\sim Ueq, Uanis(N11) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Fixed Sof: N11(0.6) N2(0.4)
6.a Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C12(H12A,H12B,H12C),
 C9(H9A,H9B,H9C), C16(H16A,H16B,H16C), C13(H13A,H13B,H13C), C10(H10A,H10B,H10C),
  C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C25(H25A,H25B,H25C), C23(H23A,H23B,
 H23C), C19(H19A,H19B,H19C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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 0.0000 0.16216(9) 0.2500 0.0349(3) Uani 1 2 d S T P A .
Ag2 Ag -0.23234(4) 0.35807(6) 0.01318(3) 0.0333(2) Uani 1 1 d . . . . .
Ag3 Ag -0.09462(4) 0.30726(6) 0.09223(3) 0.0332(2) Uani 1 1 d . . . . .
Ag4 Ag 0.0000 0.43200(11) 0.2500 0.0447(4) Uani 1 2 d S T P . .
Ag5 Ag -0.20585(4) 0.25418(7) -0.07258(4) 0.0386(3) Uani 1 1 d . . . . .
Ag6 Ag 0.06040(4) 0.26563(7) 0.18440(4) 0.0459(3) Uani 1 1 d . U . . .
Ag7 Ag -0.31699(4) 0.31303(7) -0.16963(4) 0.0472(3) Uani 1 1 d . . . . .
Ag8 Ag -0.34757(4) 0.42666(7) -0.05379(4) 0.0462(3) Uani 1 1 d . . . . .
S9 S -0.12494(11) 0.2031(2) 0.01045(11) 0.0290(7) Uani 1 1 d . . . . .
S10 S -0.26226(12) 0.4081(2) -0.08219(12) 0.0307(7) Uani 1 1 d . . . . .
S11 S -0.00943(11) 0.3830(2) 0.15555(11) 0.0280(7) Uani 1 1 d . . . . .
S12 S -0.18684(11) 0.3301(2) 0.11050(11) 0.0284(7) Uani 1 1 d . . . . .
S13 S 0.09312(12) 0.1474(2) 0.25541(12) 0.0313(7) Uani 1 1 d . . . . .
C2 C -0.2494(5) 0.4508(8) 0.1429(6) 0.055(4) Uani 1 1 d . . . . .
H2A H -0.2713 0.4632 0.1043 0.083 Uiso 1 1 calc GR . . . .
H2B H -0.2515 0.5014 0.1658 0.083 Uiso 1 1 calc GR . . . .
H2C H -0.2634 0.3974 0.1549 0.083 Uiso 1 1 calc GR . . . .
C1 C -0.1918(4) 0.4363(8) 0.1488(4) 0.033(3) Uani 1 1 d . . . . .
C3 C -0.1572(6) 0.4199(10) 0.2107(5) 0.084(6) Uani 1 1 d . . . . .
H3A H -0.1709 0.3672 0.2237 0.127 Uiso 1 1 calc GR . . . .
H3B H -0.1599 0.4718 0.2324 0.127 Uiso 1 1 calc GR . . . .
H3C H -0.1189 0.4105 0.2150 0.127 Uiso 1 1 calc GR . . . .
C4 C -0.1687(6) 0.5145(8) 0.1256(6) 0.069(5) Uani 1 1 d . . . . .
H4A H -0.1299 0.5039 0.1325 0.103 Uiso 1 1 calc GR . . . .
H4B H -0.1726 0.5697 0.1437 0.103 Uiso 1 1 calc GR . . . .
H4C H -0.1887 0.5194 0.0859 0.103 Uiso 1 1 calc GR . . . .
O2 O -0.1815(3) 0.2596(6) -0.1528(3) 0.050(3) Uani 1 1 d . . . . .
O3 O -0.3964(4) 0.5584(7) -0.0950(4) 0.072(3) Uani 1 1 d . . . . .
O1 O -0.2601(4) 0.2883(7) -0.2243(4) 0.076(3) Uani 1 1 d . . . . .
C11 C 0.0973(5) 0.0326(8) 0.2273(5) 0.030(3) Uani 1 1 d . . . . .
C12 C 0.0443(5) 0.0108(8) 0.1773(5) 0.048(4) Uani 1 1 d . . . . .
H12A H 0.0130 0.0106 0.1894 0.071 Uiso 1 1 calc GR . . . .
H12B H 0.0479 -0.0477 0.1625 0.071 Uiso 1 1 calc GR . . . .
H12C H 0.0387 0.0560 0.1487 0.071 Uiso 1 1 calc GR . . . .
C8 C -0.0686(4) 0.1649(8) -0.0147(4) 0.031(3) Uani 1 1 d . . . . .
C9 C -0.0190(5) 0.1349(9) 0.0371(4) 0.051(4) Uani 1 1 d . . . . .
H9A H -0.0067 0.1849 0.0628 0.076 Uiso 1 1 calc GR . . . .
H9B H 0.0110 0.1155 0.0257 0.076 Uiso 1 1 calc GR . . . .
H9C H -0.0301 0.0856 0.0553 0.076 Uiso 1 1 calc GR . . . .
C16 C -0.0299(5) 0.5446(8) 0.0982(5) 0.054(4) Uani 1 1 d . . . . .
H16A H -0.0649 0.5175 0.0760 0.081 Uiso 1 1 calc GR . . . .
H16B H -0.0196 0.5886 0.0759 0.081 Uiso 1 1 calc GR . . . .
H16C H -0.0334 0.5739 0.1304 0.081 Uiso 1 1 calc GR . . . .
C13 C 0.1479(5) 0.0300(9) 0.2097(5) 0.050(4) Uani 1 1 d . . . . .
H13A H 0.1437 0.0748 0.1812 0.075 Uiso 1 1 calc GR . . . .
H13B H 0.1510 -0.0291 0.1953 0.075 Uiso 1 1 calc GR . . . .
H13C H 0.1809 0.0427 0.2417 0.075 Uiso 1 1 calc GR . . . .
C15 C 0.0136(5) 0.4732(8) 0.1171(5) 0.034(3) Uani 1 1 d . . . . .
C10 C -0.0895(5) 0.0853(8) -0.0536(5) 0.049(4) Uani 1 1 d . . . . .
H10A H -0.1012 0.0380 -0.0345 0.074 Uiso 1 1 calc GR . . . .
H10B H -0.0602 0.0632 -0.0651 0.074 Uiso 1 1 calc GR . . . .
H10C H -0.1205 0.1041 -0.0861 0.074 Uiso 1 1 calc GR . . . .
C7 C -0.2092(6) 0.2745(8) -0.2017(5) 0.038(3) Uani 1 1 d . . . . .
C6 C -0.2180(5) 0.5093(9) -0.0831(5) 0.038(3) Uani 1 1 d . . . . .
F1 F -0.1966(4) 0.2157(7) -0.2819(4) 0.097(3) Uani 1 1 d . . . . .
F3 F -0.1243(4) 0.2568(7) -0.2178(4) 0.090(3) Uani 1 1 d . . . . .
O4 O -0.3481(5) 0.5916(7) -0.0090(5) 0.089(4) Uani 1 1 d . . . . .
N1 N 0.0000 0.5980(13) 0.2500 0.088(7) Uani 1 2 d S T P . .
F2 F -0.1794(5) 0.3538(8) -0.2642(5) 0.145(5) Uani 1 1 d . . . . .
C20 C 0.0196(6) 0.4271(9) 0.0647(5) 0.061(4) Uani 1 1 d . . . . .
H20A H 0.0459 0.3782 0.0767 0.092 Uiso 1 1 calc GR . . . .
H20B H 0.0326 0.4708 0.0444 0.092 Uiso 1 1 calc GR . . . .
H20C H -0.0159 0.4039 0.0409 0.092 Uiso 1 1 calc GR . . . .
C21 C 0.0685(5) 0.5110(9) 0.1550(5) 0.055(4) Uani 1 1 d . . . . .
H21A H 0.0630 0.5463 0.1843 0.083 Uiso 1 1 calc GR . . . .
H21B H 0.0838 0.5489 0.1336 0.083 Uiso 1 1 calc GR . . . .
H21C H 0.0937 0.4621 0.1715 0.083 Uiso 1 1 calc GR . . . .
C25 C 0.1048(5) -0.0328(8) 0.2748(5) 0.050(4) Uani 1 1 d . . . . .
H25A H 0.1363 -0.0147 0.3070 0.075 Uiso 1 1 calc GR . . . .
H25B H 0.1110 -0.0927 0.2635 0.075 Uiso 1 1 calc GR . . . .
H25C H 0.0719 -0.0328 0.2842 0.075 Uiso 1 1 calc GR . . . .
C23 C -0.2199(5) 0.5183(10) -0.1432(5) 0.067(5) Uani 1 1 d . . . . .
H23A H -0.2070 0.4630 -0.1543 0.100 Uiso 1 1 calc GR . . . .
H23B H -0.1964 0.5676 -0.1455 0.100 Uiso 1 1 calc GR . . . .
H23C H -0.2575 0.5299 -0.1679 0.100 Uiso 1 1 calc GR . . . .
C22 C 0.0000 0.678(2) 0.2500 0.086(8) Uani 1 2 d S T P . .
C17 C -0.3810(7) 0.6105(11) -0.0581(8) 0.063(5) Uani 1 1 d . . . . .
C19 C -0.0532(5) 0.2427(9) -0.0452(5) 0.054(4) Uani 1 1 d . . . . .
H19A H -0.0865 0.2717 -0.0697 0.081 Uiso 1 1 calc GR . . . .
H19B H -0.0324 0.2198 -0.0669 0.081 Uiso 1 1 calc GR . . . .
H19C H -0.0309 0.2859 -0.0182 0.081 Uiso 1 1 calc GR . . . .
C24 C -0.1591(5) 0.4924(11) -0.0464(6) 0.091(6) Uani 1 1 d . . . . .
H24A H -0.1561 0.4920 -0.0078 0.136 Uiso 1 1 calc GR . . . .
H24B H -0.1358 0.5396 -0.0520 0.136 Uiso 1 1 calc GR . . . .
H24C H -0.1473 0.4349 -0.0558 0.136 Uiso 1 1 calc GR . . . .
C18 C -0.1775(7) 0.2747(12) -0.2418(6) 0.062(4) Uani 1 1 d . . . . .
F4 F -0.4442(6) 0.7221(8) -0.1089(5) 0.163(6) Uani 1 1 d . . . . .
F5 F -0.3971(6) 0.7538(8) -0.0256(6) 0.168(6) Uani 1 1 d . . . . .
C26 C -0.2417(8) 0.5908(10) -0.0656(9) 0.135(9) Uani 1 1 d . . . . .
H26A H -0.2815 0.5907 -0.0840 0.203 Uiso 1 1 calc GR . . . .
H26B H -0.2266 0.6446 -0.0759 0.203 Uiso 1 1 calc GR . . . .
H26C H -0.2324 0.5898 -0.0256 0.203 Uiso 1 1 calc GR . . . .
C29 C -0.3968(10) 0.7110(17) -0.0689(10) 0.101(7) Uani 1 1 d . U . . .
C27 C 0.0000 0.7780(15) 0.2500 0.114(10) Uani 1 2 d S T P . .
C28 C 0.1935(8) 0.1880(10) 0.1019(7) 0.097(6) Uani 1 1 d D U . . .
N11 N 0.1463(8) 0.2781(15) 0.1652(8) 0.063(6) Uani 0.6 1 d D U . A 2
F6A F -0.3616(7) 0.7506(9) -0.0857(8) 0.212(7) Uani 1 1 d . U . . .
C0AA C 0.1536(8) 0.2357(13) 0.1256(8) 0.107(6) Uani 1 1 d D U . . .
N2 N 0.1158(14) 0.265(3) 0.1307(18) 0.099(14) Uani 0.4 1 d . U . A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
Ag6 Ag1 Ag6 120.39(6) . 2
S13 Ag1 Ag6 135.82(8) 2 .
S13 Ag1 Ag6 51.28(7) 2 2
S13 Ag1 Ag6 135.82(8) . 2
S13 Ag1 Ag6 51.28(7) . .
S13 Ag1 S13 169.42(16) 2 .
Ag5 Ag2 Ag2 57.95(3) . 7_455
Ag5 Ag2 Ag2 54.93(3) 7_455 7_455
Ag5 Ag2 Ag5 112.88(4) . 7_455
Ag5 Ag2 Ag8 101.39(4) . .
Ag8 Ag2 Ag2 93.78(4) . 7_455
Ag8 Ag2 Ag5 83.16(3) . 7_455
S10 Ag2 Ag2 97.24(8) . 7_455
S10 Ag2 Ag5 58.64(8) . .
S10 Ag2 Ag5 129.75(8) . 7_455
S10 Ag2 Ag8 55.20(7) . .
S12 Ag2 Ag2 92.33(8) . 7_455
S12 Ag2 Ag5 121.92(8) . .
S12 Ag2 Ag5 62.20(7) . 7_455
S12 Ag2 Ag8 131.77(8) . .
S12 Ag2 S10 167.85(11) . .
S9 Ag3 S12 101.58(9) . .
S11 Ag3 S9 139.96(10) . .
S11 Ag3 S12 118.43(10) . .
S11 Ag4 S11 145.58(15) . 2
S11 Ag4 N1 107.21(8) . .
S11 Ag4 N1 107.21(8) 2 .
Ag2 Ag5 Ag2 67.12(4) . 7_455
Ag2 Ag5 Ag7 92.96(4) 7_455 .
Ag2 Ag5 Ag7 93.03(4) . .
S9 Ag5 Ag2 82.64(7) . .
S9 Ag5 Ag2 80.75(7) . 7_455
S9 Ag5 Ag7 173.38(8) . .
S9 Ag5 S10 126.70(10) . .
S9 Ag5 S12 124.42(10) . 7_455
S10 Ag5 Ag2 98.26(7) . 7_455
S10 Ag5 Ag2 50.15(6) . .
S10 Ag5 Ag7 51.85(6) . .
S10 Ag5 S12 84.90(9) . 7_455
S12 Ag5 Ag2 47.10(6) 7_455 7_455
S12 Ag5 Ag2 91.32(6) 7_455 .
S12 Ag5 Ag7 50.41(6) 7_455 .
O2 Ag5 Ag2 143.4(2) . 7_455
O2 Ag5 Ag2 146.7(2) . .
O2 Ag5 Ag7 76.01(19) . .
O2 Ag5 S9 110.3(2) . .
O2 Ag5 S10 101.5(2) . .
O2 Ag5 S12 104.4(2) . 7_455
S11 Ag6 Ag1 93.15(8) . .
S11 Ag6 S13 139.52(11) . .
S11 Ag6 N11 121.0(6) . .
S13 Ag6 Ag1 49.13(7) . .
S13 Ag6 N11 96.2(5) . .
N11 Ag6 Ag1 145.2(5) . .
N2 Ag6 Ag1 149.8(10) . .
N2 Ag6 S11 112.0(8) . .
N2 Ag6 S13 108.5(8) . .
S10 Ag7 Ag5 54.08(7) . .
S12 Ag7 Ag5 58.84(6) 7_455 .
S12 Ag7 S10 92.57(9) 7_455 .
S13 Ag7 Ag5 177.01(9) 8_455 .
S13 Ag7 S10 127.22(10) 8_455 .
S13 Ag7 S12 118.18(10) 8_455 7_455
O1 Ag7 Ag5 81.0(2) . .
O1 Ag7 S10 109.3(3) . .
O1 Ag7 S12 108.4(3) . 7_455
O1 Ag7 S13 100.6(2) . 8_455
S9 Ag8 Ag2 82.34(7) 7_455 .
S9 Ag8 S10 117.54(10) 7_455 .
S10 Ag8 Ag2 49.93(7) . .
O3 Ag8 Ag2 142.2(3) . .
O3 Ag8 S9 131.0(3) . 7_455
O3 Ag8 S10 109.7(3) . .
Ag3 S9 Ag5 116.18(12) . .
Ag8 S9 Ag3 99.15(10) 7_455 .
Ag8 S9 Ag5 109.41(11) 7_455 .
C8 S9 Ag3 115.3(3) . .
C8 S9 Ag5 108.2(3) . .
C8 S9 Ag8 107.8(4) . 7_455
Ag2 S10 Ag5 71.21(8) . .
Ag2 S10 Ag7 126.02(13) . .
Ag2 S10 Ag8 74.87(9) . .
Ag7 S10 Ag5 74.07(8) . .
Ag8 S10 Ag5 124.09(12) . .
Ag8 S10 Ag7 92.68(10) . .
C6 S10 Ag2 106.5(4) . .
C6 S10 Ag5 111.4(4) . .
C6 S10 Ag7 124.3(4) . .
C6 S10 Ag8 120.2(4) . .
Ag4 S11 Ag3 121.83(12) . .
Ag6 S11 Ag3 105.25(12) . .
Ag6 S11 Ag4 96.52(10) . .
C15 S11 Ag3 110.6(4) . .
C15 S11 Ag4 111.7(4) . .
C15 S11 Ag6 109.2(4) . .
Ag2 S12 Ag3 88.42(10) . .
Ag2 S12 Ag5 70.69(7) . 7_455
Ag2 S12 Ag7 131.08(12) . 7_455
Ag3 S12 Ag5 135.69(11) . 7_455
Ag7 S12 Ag3 98.91(10) 7_455 .
Ag7 S12 Ag5 70.75(8) 7_455 7_455
C1 S12 Ag2 107.4(4) . .
C1 S12 Ag3 116.1(4) . .
C1 S12 Ag5 107.4(4) . 7_455
C1 S12 Ag7 112.0(4) . 7_455
Ag1 S13 Ag6 79.59(9) . .
Ag1 S13 Ag7 131.91(13) . 8_556
Ag6 S13 Ag7 112.40(12) . 8_556
C11 S13 Ag1 105.1(4) . .
C11 S13 Ag6 114.7(4) . .
C11 S13 Ag7 110.1(4) . 8_556
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
C2 C1 S12 109.2(8) . .
C2 C1 C3 108.8(11) . .
C2 C1 C4 112.3(11) . .
C3 C1 S12 106.4(8) . .
C4 C1 S12 108.8(8) . .
C4 C1 C3 111.1(11) . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C7 O2 Ag5 131.3(8) . .
C17 O3 Ag8 102.2(11) . .
C7 O1 Ag7 121.3(8) . .
C12 C11 S13 110.7(8) . .
C13 C11 S13 108.1(8) . .
C13 C11 C12 110.5(10) . .
C25 C11 S13 106.3(8) . .
C25 C11 C12 110.7(10) . .
C25 C11 C13 110.3(10) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C9 C8 S9 107.3(7) . .
C10 C8 S9 108.9(8) . .
C10 C8 C9 109.4(10) . .
C10 C8 C19 110.4(10) . .
C19 C8 S9 109.0(8) . .
C19 C8 C9 111.6(10) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C16 C15 S11 109.3(8) . .
C16 C15 C20 109.1(10) . .
C16 C15 C21 111.7(10) . .
C20 C15 S11 106.7(8) . .
C21 C15 S11 109.2(8) . .
C21 C15 C20 110.7(10) . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O2 C7 O1 129.6(12) . .
O2 C7 C18 115.8(12) . .
O1 C7 C18 114.7(11) . .
C23 C6 S10 106.4(8) . .
C24 C6 S10 110.1(9) . .
C24 C6 C23 107.7(11) . .
C24 C6 C26 112.4(12) . .
C26 C6 S10 108.7(9) . .
C26 C6 C23 111.4(13) . .
C22 N1 Ag4 180.0 . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C15 C21 H21A 109.5 . .
C15 C21 H21B 109.5 . .
C15 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C11 C25 H25A 109.5 . .
C11 C25 H25B 109.5 . .
C11 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C6 C23 H23A 109.5 . .
C6 C23 H23B 109.5 . .
C6 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 C22 C27 180.0 . .
O3 C17 O4 124.5(16) . .
O3 C17 C29 119.9(19) . .
O4 C17 C29 115.5(18) . .
C8 C19 H19A 109.5 . .
C8 C19 H19B 109.5 . .
C8 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C6 C24 H24A 109.5 . .
C6 C24 H24B 109.5 . .
C6 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
F1 C18 C7 112.8(14) . .
F1 C18 F3 105.5(14) . .
F3 C18 C7 114.2(12) . .
F2 C18 C7 110.9(14) . .
F2 C18 F1 108.3(13) . .
F2 C18 F3 104.8(15) . .
C6 C26 H26A 109.5 . .
C6 C26 H26B 109.5 . .
C6 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
F4 C29 C17 112(2) . .
F5 C29 C17 113.9(19) . .
F5 C29 F4 109(2) . .
F6A C29 C17 109.3(19) . .
F6A C29 F4 105(2) . .
F6A C29 F5 107(2) . .
C0AA N11 Ag6 122.2(17) . .
N11 C0AA C28 149(2) . .
N2 C0AA C28 163(3) . .
C0AA N2 Ag6 146(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag6 3.0683(13) 2
Ag1 Ag6 3.0682(13) .
Ag1 S13 2.359(3) 2
Ag1 S13 2.359(3) .
Ag2 Ag2 3.3142(19) 7_455
Ag2 Ag5 3.0491(14) 7_455
Ag2 Ag5 2.9441(13) .
Ag2 Ag8 3.0114(14) .
Ag2 S10 2.387(3) .
Ag2 S12 2.367(3) .
Ag3 S9 2.478(3) .
Ag3 S11 2.470(3) .
Ag3 S12 2.599(3) .
Ag4 S11 2.441(3) 2
Ag4 S11 2.441(3) .
Ag4 N1 2.45(2) .
Ag5 Ag2 3.0491(14) 7_455
Ag5 Ag7 3.1531(14) .
Ag5 S9 2.490(3) .
Ag5 S10 2.656(3) .
Ag5 S12 2.858(3) 7_455
Ag5 O2 2.347(7) .
Ag6 S11 2.409(3) .
Ag6 S13 2.434(3) .
Ag6 N11 2.44(2) .
Ag6 N2 2.30(4) .
Ag7 S10 2.579(3) .
Ag7 S12 2.574(3) 7_455
Ag7 S13 2.480(3) 8_455
Ag7 O1 2.386(9) .
Ag8 S9 2.438(3) 7_455
Ag8 S10 2.562(3) .
Ag8 O3 2.346(10) .
S9 Ag8 2.438(3) 7_455
S9 C8 1.871(10) .
S10 C6 1.883(12) .
S11 C15 1.870(12) .
S12 Ag5 2.858(3) 7_455
S12 Ag7 2.574(3) 7_455
S12 C1 1.873(11) .
S13 Ag7 2.480(3) 8_556
S13 C11 1.857(11) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C2 C1 1.449(14) .
C1 C3 1.527(14) .
C1 C4 1.512(15) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
O2 C7 1.212(12) .
O3 C17 1.167(17) .
O1 C7 1.243(14) .
C11 C12 1.527(14) .
C11 C13 1.522(14) .
C11 C25 1.505(14) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C8 C9 1.535(13) .
C8 C10 1.505(14) .
C8 C19 1.517(15) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C16 C15 1.485(15) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C15 C20 1.555(15) .
C15 C21 1.501(14) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C7 C18 1.519(18) .
C6 C23 1.522(15) .
C6 C24 1.487(16) .
C6 C26 1.489(18) .
F1 C18 1.297(17) .
F3 C18 1.310(16) .
O4 C17 1.264(17) .
N1 C22 1.18(3) .
F2 C18 1.291(16) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C22 C27 1.47(3) .
C17 C29 1.53(2) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
F4 C29 1.29(2) .
F5 C29 1.28(2) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C29 F6A 1.27(2) .
C28 C0AA 1.537(14) .
N11 C0AA 1.257(15) .
C0AA N2 1.11(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
Ag1 S13 C11 C12 38.7(9) .
Ag1 S13 C11 C13 160.0(7) .
Ag1 S13 C11 C25 -81.6(8) .
Ag2 S10 C6 C23 158.2(8) .
Ag2 S10 C6 C24 41.8(10) .
Ag2 S10 C6 C26 -81.7(11) .
Ag2 S12 C1 C2 68.4(9) .
Ag2 S12 C1 C3 -174.3(8) .
Ag2 S12 C1 C4 -54.5(9) .
Ag3 S9 C8 C9 47.2(9) .
Ag3 S9 C8 C10 165.6(7) .
Ag3 S9 C8 C19 -73.8(7) .
Ag3 S11 C15 C16 63.4(9) .
Ag3 S11 C15 C20 -54.5(9) .
Ag3 S11 C15 C21 -174.2(7) .
Ag3 S12 C1 C2 165.4(7) .
Ag3 S12 C1 C3 -77.3(9) .
Ag3 S12 C1 C4 42.4(9) .
Ag4 S11 C15 C16 -75.7(8) .
Ag4 S11 C15 C20 166.4(7) .
Ag4 S11 C15 C21 46.7(9) .
Ag5 S9 C8 C9 179.3(7) .
Ag5 S9 C8 C10 -62.3(9) .
Ag5 S9 C8 C19 58.2(8) .
Ag5 S10 C6 C23 82.4(9) .
Ag5 S10 C6 C24 -34.0(10) .
Ag5 S10 C6 C26 -157.5(10) .
Ag5 S12 C1 C2 -6.3(10) 7_455
Ag5 S12 C1 C3 111.0(8) 7_455
Ag5 S12 C1 C4 -129.2(8) 7_455
Ag5 O2 C7 O1 -3(2) .
Ag5 O2 C7 C18 178.3(10) .
Ag6 S11 C15 C16 178.8(7) .
Ag6 S11 C15 C20 60.9(8) .
Ag6 S11 C15 C21 -58.8(9) .
Ag6 S13 C11 C12 -46.6(9) .
Ag6 S13 C11 C13 74.7(8) .
Ag6 S13 C11 C25 -166.9(6) .
Ag6 N11 C0AA C28 -148(3) .
Ag7 S10 C6 C23 -2.5(11) .
Ag7 S10 C6 C24 -118.8(9) .
Ag7 S10 C6 C26 117.6(11) .
Ag7 S12 C1 C2 -82.1(9) 7_455
Ag7 S12 C1 C3 35.3(10) 7_455
Ag7 S12 C1 C4 155.0(7) 7_455
Ag7 S13 C11 C12 -174.6(7) 8_556
Ag7 S13 C11 C13 -53.3(8) 8_556
Ag7 S13 C11 C25 65.1(8) 8_556
Ag7 O1 C7 O2 10(2) .
Ag7 O1 C7 C18 -170.9(10) .
Ag8 S9 C8 C9 -62.5(9) 7_455
Ag8 S9 C8 C10 55.9(8) 7_455
Ag8 S9 C8 C19 176.4(6) 7_455
Ag8 S10 C6 C23 -120.0(8) .
Ag8 S10 C6 C24 123.6(9) .
Ag8 S10 C6 C26 0.1(12) .
Ag8 O3 C17 O4 -3.0(19) .
Ag8 O3 C17 C29 171.7(14) .
O2 C7 C18 F1 121.7(14) .
O2 C7 C18 F3 1(2) .
O2 C7 C18 F2 -116.8(15) .
O3 C17 C29 F4 30(3) .
O3 C17 C29 F5 154.5(19) .
O3 C17 C29 F6A -86(3) .
O1 C7 C18 F1 -57.2(18) .
O1 C7 C18 F3 -177.6(14) .
O1 C7 C18 F2 64.3(19) .
O4 C17 C29 F4 -154.4(17) .
O4 C17 C29 F5 -30(3) .
O4 C17 C29 F6A 89(2) .
C28 C0AA N2 Ag6 124(8) .
