#------------------------------------------------------------------------------
#$Date: 2019-11-08 02:07:32 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224668 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/22/1552275.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_1552275
loop_
_publ_author_name
'Wu, Tong'
'Yin, Di'
'Hu, Xun'
'Yang, Bo'
'Liu, Hong'
'Xie, Yun-Peng'
'Liu, Shi-Xi'
'Ma, Lulu'
'Gao, Guang-Gang'
_publ_section_title
;
 A disulfur ligand stabilization approach to construct a
 silver(i)-cluster-based porous framework as a sensitive SERS substrate.
;
_journal_issue                   35
_journal_name_full               Nanoscale
_journal_page_first              16293
_journal_page_last               16298
_journal_paper_doi               10.1039/c9nr05301h
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C70 H132 Ag17 N14 S28'
_chemical_formula_weight         3901.36
_space_group_crystal_system      cubic
_space_group_IT_number           220
_space_group_name_Hall           'I -4bd 2c 3'
_space_group_name_H-M_alt        'I -4 3 d'
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc21cdb5
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2019-08-27 deposited with the CCDC.    2019-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   36.5504(7)
_cell_length_b                   36.5504(7)
_cell_length_c                   36.5504(7)
_cell_measurement_temperature    297(2)
_cell_volume                     48828.8(16)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.979
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21967
_diffrn_reflns_point_group_measured_fraction_full 0.939
_diffrn_reflns_point_group_measured_fraction_max 0.900
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.476
_diffrn_reflns_theta_min         2.961
_exptl_absorpt_coefficient_mu    19.596
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_F_000             22764
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
;
 Flack x determined using 1824 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         7397
_refine_ls_number_restraints     300
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0357
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0467P)²+56.2992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.1015
_reflns_Friedel_coverage         0.751
_reflns_Friedel_fraction_full    0.873
_reflns_Friedel_fraction_max     0.812
_reflns_number_gt                4927
_reflns_number_total             7397
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nr05301h2.cif
_cod_data_source_block           hy_sq
_cod_depositor_comments          'Adding full bibliography for 1552275.cif.'
_cod_original_cell_volume        48829(3)
_cod_database_code               1552275
_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.
;
_shelxl_version_number           2014-1
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+1/4, x+1/4, z+1/4'
'-y+1/4, -x+3/4, z+3/4'
'y+3/4, -x+1/4, -z+3/4'
'-y+3/4, x+3/4, -z+1/4'
'x+1/4, z+1/4, y+1/4'
'-x+3/4, z+3/4, -y+1/4'
'-x+1/4, -z+3/4, y+3/4'
'x+3/4, -z+1/4, -y+3/4'
'z+1/4, y+1/4, x+1/4'
'z+3/4, -y+1/4, -x+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-z+1/4, -y+3/4, x+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1, -x+1, -y+1/2'
'-z+1, -x+1/2, y+1'
'-z+1/2, x+1, -y+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1'
'y+1, -z+1, -x+1/2'
'-y+1, -z+1/2, x+1'
'y+3/4, x+3/4, z+3/4'
'-y+3/4, -x+5/4, z+5/4'
'y+5/4, -x+3/4, -z+5/4'
'-y+5/4, x+5/4, -z+3/4'
'x+3/4, z+3/4, y+3/4'
'-x+5/4, z+5/4, -y+3/4'
'-x+3/4, -z+5/4, y+5/4'
'x+5/4, -z+3/4, -y+5/4'
'z+3/4, y+3/4, x+3/4'
'z+5/4, -y+3/4, -x+5/4'
'-z+5/4, y+5/4, -x+3/4'
'-z+3/4, -y+5/4, x+5/4'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ag1 Ag 0.63046(2) 0.58136(2) 0.55018(3) 0.0917(3) Uani 1 1 d . U .
Ag2 Ag 0.59265(3) 0.51182(2) 0.55619(2) 0.0946(3) Uani 1 1 d . U .
Ag3 Ag 0.76146(3) 0.46657(3) 0.53577(3) 0.1203(4) Uani 1 1 d . U .
Ag4 Ag 0.68023(2) 0.50804(3) 0.52652(3) 0.0970(3) Uani 1 1 d . U .
Ag5 Ag 0.7500 0.3750 0.5000 0.0823(4) Uani 1 4 d S TU P
S1 S 0.64740(9) 0.48511(9) 0.58498(9) 0.1018(9) Uani 1 1 d . U .
S2 S 0.64701(8) 0.56316(9) 0.61383(9) 0.0946(8) Uani 1 1 d . U .
S3 S 0.71805(9) 0.41464(8) 0.54791(8) 0.0899(8) Uani 1 1 d . U .
S4 S 0.67489(8) 0.45056(9) 0.48684(9) 0.0945(8) Uani 1 1 d . U .
S5 S 0.57803(9) 0.53058(9) 0.49200(8) 0.0944(8) Uani 1 1 d . U .
S6 S 0.65425(9) 0.56325(9) 0.48929(9) 0.0963(8) Uani 1 1 d . U .
S7 S 0.74484(8) 0.53277(8) 0.54175(8) 0.0941(8) Uani 1 1 d . U .
N1 N 0.6209(3) 0.5275(3) 0.4347(3) 0.110(3) Uani 1 1 d . U .
N2 N 0.7500 0.5920(4) 0.5000 0.111(4) Uani 1 2 d S TU P
N3 N 0.6927(3) 0.5116(4) 0.6341(3) 0.118(3) Uani 1 1 d . U .
C4 C 0.5929(4) 0.5102(5) 0.4149(4) 0.126(4) Uani 1 1 d . U .
H4A H 0.5949 0.5170 0.3893 0.152 Uiso 1 1 calc R U .
H4B H 0.5694 0.5186 0.4238 0.152 Uiso 1 1 calc R U .
C8 C 0.7101(4) 0.5389(5) 0.6590(4) 0.128(4) Uani 1 1 d . U .
H8A H 0.6916 0.5562 0.6668 0.154 Uiso 1 1 calc R U .
H8B H 0.7188 0.5262 0.6806 0.154 Uiso 1 1 calc R U .
N9 N 0.6510(3) 0.3966(3) 0.5276(4) 0.125(4) Uani 1 1 d . U .
C11 C 0.6184(3) 0.5395(3) 0.4694(3) 0.090(3) Uani 1 1 d . U .
C12 C 0.7400(5) 0.5590(7) 0.6435(5) 0.192(9) Uani 1 1 d . U .
H12A H 0.7307 0.5786 0.6287 0.287 Uiso 1 1 calc R U .
H12B H 0.7545 0.5429 0.6285 0.287 Uiso 1 1 calc R U .
H12C H 0.7549 0.5688 0.6627 0.287 Uiso 1 1 calc R U .
C13 C 0.7534(4) 0.6136(4) 0.5337(5) 0.127(4) Uani 1 1 d . U .
H13 H 0.7758 0.6194 0.5444 0.152 Uiso 1 1 calc R U .
C14 C 0.6646(3) 0.5189(4) 0.6127(3) 0.096(3) Uani 1 1 d . U .
C15 C 0.7067(5) 0.4717(5) 0.6370(4) 0.146(5) Uani 1 1 d . U .
H15 H 0.7250 0.4620 0.6223 0.176 Uiso 1 1 calc R U .
C16 C 0.6583(5) 0.5691(6) 0.3941(5) 0.166(7) Uani 1 1 d . U .
H16A H 0.6409 0.5700 0.3744 0.250 Uiso 1 1 calc R U .
H16B H 0.6825 0.5721 0.3845 0.250 Uiso 1 1 calc R U .
H16C H 0.6532 0.5885 0.4111 0.250 Uiso 1 1 calc R U .
C17 C 0.6799(3) 0.4193(4) 0.5216(3) 0.096(3) Uani 1 1 d . U .
C18 C 0.6157(4) 0.3940(4) 0.5022(5) 0.135(5) Uani 1 1 d . U .
H18A H 0.6215 0.4003 0.4771 0.162 Uiso 1 1 calc R U .
H18B H 0.6051 0.3697 0.5029 0.162 Uiso 1 1 calc R U .
C19 C 0.6554(4) 0.5326(5) 0.4134(4) 0.140(5) Uani 1 1 d . U .
H19A H 0.6572 0.5132 0.3953 0.167 Uiso 1 1 calc R U .
H19B H 0.6761 0.5301 0.4299 0.167 Uiso 1 1 calc R U .
C20 C 0.7197(5) 0.6245(5) 0.5482(5) 0.147(6) Uani 1 1 d . U .
H20A H 0.7063 0.6380 0.5301 0.220 Uiso 1 1 calc R U .
H20B H 0.7237 0.6397 0.5693 0.220 Uiso 1 1 calc R U .
H20C H 0.7059 0.6032 0.5553 0.220 Uiso 1 1 calc R U .
C2 C 0.6525(5) 0.3660(5) 0.5541(6) 0.164(6) Uani 1 1 d . U .
H2A H 0.6772 0.3563 0.5555 0.197 Uiso 1 1 calc R U .
H2B H 0.6362 0.3465 0.5465 0.197 Uiso 1 1 calc R U .
C9 C 0.5923(6) 0.4198(6) 0.5180(7) 0.185(8) Uani 1 1 d . U .
H9A H 0.5875 0.4390 0.5007 0.278 Uiso 1 1 calc R U .
H9B H 0.6035 0.4299 0.5395 0.278 Uiso 1 1 calc R U .
H9C H 0.5697 0.4082 0.5246 0.278 Uiso 1 1 calc R U .
C10 C 0.7500 0.5554(5) 0.5000 0.094(4) Uani 1 2 d S TU P
C1U C 0.5949(6) 0.4680(5) 0.4184(5) 0.168(7) Uani 1 1 d . U .
H1UA H 0.6147 0.4589 0.4037 0.251 Uiso 1 1 calc R U .
H1UB H 0.5723 0.4575 0.4101 0.251 Uiso 1 1 calc R U .
H1UC H 0.5989 0.4615 0.4435 0.251 Uiso 1 1 calc R U .
C1M C 0.6889(7) 0.4527(6) 0.6635(6) 0.207(10) Uani 1 1 d . U .
H1MA H 0.6661 0.4439 0.6541 0.311 Uiso 1 1 calc R U .
H1MB H 0.6845 0.4684 0.6840 0.311 Uiso 1 1 calc R U .
H1MC H 0.7037 0.4324 0.6710 0.311 Uiso 1 1 calc R U .
C1I C 0.6405(8) 0.3812(6) 0.5922(6) 0.222(12) Uani 1 1 d . U .
H1IA H 0.6157 0.3899 0.5908 0.334 Uiso 1 1 calc R U .
H1IB H 0.6563 0.4010 0.5991 0.334 Uiso 1 1 calc R U .
H1IC H 0.6420 0.3621 0.6102 0.334 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
S6 Ag1 S2 132.91(11) . .
S6 Ag1 S2 120.51(11) . 5
S2 Ag1 S2 97.87(16) . 5
S6 Ag1 Ag2 90.07(8) . .
S2 Ag1 Ag2 79.12(8) . .
S2 Ag1 Ag2 134.83(8) 5 .
S6 Ag1 Ag2 86.35(8) . 5
S2 Ag1 Ag2 132.34(8) . 5
S2 Ag1 Ag2 75.28(8) 5 5
Ag2 Ag1 Ag2 74.47(4) . 5
S6 Ag1 Ag4 50.56(7) . .
S2 Ag1 Ag4 84.01(8) . .
S2 Ag1 Ag4 160.13(8) 5 .
Ag2 Ag1 Ag4 65.02(3) . .
Ag2 Ag1 Ag4 117.87(4) 5 .
S1 Ag2 S5 133.06(11) . .
S1 Ag2 S5 118.93(11) . 9
S5 Ag2 S5 100.63(15) . 9
S1 Ag2 Ag1 89.58(9) . .
S5 Ag2 Ag1 77.91(8) . .
S5 Ag2 Ag1 134.99(8) 9 .
S1 Ag2 Ag1 85.00(8) . 9
S5 Ag2 Ag1 132.26(8) . 9
S5 Ag2 Ag1 74.36(8) 9 9
Ag1 Ag2 Ag1 74.46(4) . 9
S7 Ag3 S3 124.13(10) . .
S7 Ag3 S4 118.28(11) . 27_645
S3 Ag3 S4 117.52(11) . 27_645
S7 Ag3 Ag3 90.53(8) . 27_645
S3 Ag3 Ag3 88.60(8) . 27_645
S4 Ag3 Ag3 88.26(9) 27_645 27_645
S7 Ag3 Ag4 49.97(8) . .
S3 Ag3 Ag4 78.47(7) . .
S4 Ag3 Ag4 152.13(9) 27_645 .
Ag3 Ag3 Ag4 68.50(4) 27_645 .
S4 Ag4 S7 118.55(10) . .
S4 Ag4 S1 99.58(11) . .
S7 Ag4 S1 110.98(11) . .
S4 Ag4 S6 108.12(11) . .
S7 Ag4 S6 100.01(10) . .
S1 Ag4 S6 120.75(10) . .
S4 Ag4 Ag3 75.74(7) . .
S7 Ag4 Ag3 47.79(7) . .
S1 Ag4 Ag3 100.42(8) . .
S6 Ag4 Ag3 136.39(8) . .
S4 Ag4 Ag1 139.52(8) . .
S7 Ag4 Ag1 99.22(7) . .
S1 Ag4 Ag1 78.14(7) . .
S6 Ag4 Ag1 47.13(7) . .
Ag3 Ag4 Ag1 144.73(4) . .
S3 Ag5 S3 108.76(7) . 24_654
S3 Ag5 S3 108.76(7) . 46_455
S3 Ag5 S3 110.91(13) 24_654 46_455
S3 Ag5 S3 110.91(13) . 27_645
S3 Ag5 S3 108.76(7) 24_654 27_645
S3 Ag5 S3 108.76(7) 46_455 27_645
C14 S1 Ag2 105.4(4) . .
C14 S1 Ag4 94.9(4) . .
Ag2 S1 Ag4 84.02(11) . .
C14 S2 Ag1 108.4(4) . .
C14 S2 Ag1 100.5(4) . 9
Ag1 S2 Ag1 92.53(11) . 9
C17 S3 Ag3 110.0(4) . .
C17 S3 Ag5 92.5(4) . .
Ag3 S3 Ag5 91.08(10) . .
C17 S4 Ag3 107.2(4) . 27_645
C17 S4 Ag4 96.8(5) . .
Ag3 S4 Ag4 85.71(10) 27_645 .
C11 S5 Ag2 108.6(4) . .
C11 S5 Ag2 103.9(4) . 5
Ag2 S5 Ag2 92.57(11) . 5
C11 S6 Ag1 104.2(4) . .
C11 S6 Ag4 96.1(4) . .
Ag1 S6 Ag4 82.31(10) . .
C10 S7 Ag3 110.8(5) . .
C10 S7 Ag4 94.4(2) . .
Ag3 S7 Ag4 82.25(10) . .
C11 N1 C4 125.8(12) . .
C11 N1 C19 120.6(13) . .
C4 N1 C19 113.6(12) . .
C10 N2 C13 122.4(8) . 27_645
C10 N2 C13 122.4(8) . .
C13 N2 C13 115.1(16) 27_645 .
C14 N3 C8 124.0(12) . .
C14 N3 C15 119.2(13) . .
C8 N3 C15 116.5(11) . .
N1 C4 C1U 111.8(13) . .
N1 C4 H4A 109.3 . .
C1U C4 H4A 109.3 . .
N1 C4 H4B 109.3 . .
C1U C4 H4B 109.3 . .
H4A C4 H4B 107.9 . .
C12 C8 N3 115.2(13) . .
C12 C8 H8A 108.5 . .
N3 C8 H8A 108.5 . .
C12 C8 H8B 108.5 . .
N3 C8 H8B 108.5 . .
H8A C8 H8B 107.5 . .
C17 N9 C2 122.4(13) . .
C17 N9 C18 125.0(11) . .
C2 N9 C18 111.5(12) . .
N1 C11 S5 116.6(10) . .
N1 C11 S6 120.6(10) . .
S5 C11 S6 122.8(7) . .
C8 C12 H12A 109.5 . .
C8 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C8 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C20 C13 N2 113.2(13) . .
C20 C13 H13 123.4 . .
N2 C13 H13 123.4 . .
N3 C14 S1 119.4(10) . .
N3 C14 S2 117.5(11) . .
S1 C14 S2 123.1(7) . .
C1M C15 N3 112.0(14) . .
C1M C15 H15 124.0 . .
N3 C15 H15 124.0 . .
C19 C16 H16A 109.5 . .
C19 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C19 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N9 C17 S3 119.1(10) . .
N9 C17 S4 116.1(10) . .
S3 C17 S4 124.8(8) . .
C9 C18 N9 102.5(16) . .
C9 C18 H18A 111.3 . .
N9 C18 H18A 111.3 . .
C9 C18 H18B 111.3 . .
N9 C18 H18B 111.3 . .
H18A C18 H18B 109.2 . .
N1 C19 C16 114.3(13) . .
N1 C19 H19A 108.7 . .
C16 C19 H19A 108.7 . .
N1 C19 H19B 108.7 . .
C16 C19 H19B 108.7 . .
H19A C19 H19B 107.6 . .
C13 C20 H20A 109.5 . .
C13 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C13 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N9 C2 C1I 107.7(16) . .
N9 C2 H2A 110.2 . .
C1I C2 H2A 110.2 . .
N9 C2 H2B 110.2 . .
C1I C2 H2B 110.2 . .
H2A C2 H2B 108.5 . .
C18 C9 H9A 109.5 . .
C18 C9 H9B 109.4 . .
H9A C9 H9B 109.5 . .
C18 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 C10 S7 118.3(5) . .
N2 C10 S7 118.3(5) . 27_645
S7 C10 S7 123.4(10) . 27_645
C4 C1U H1UA 109.5 . .
C4 C1U H1UB 109.5 . .
H1UA C1U H1UB 109.5 . .
C4 C1U H1UC 109.5 . .
H1UA C1U H1UC 109.5 . .
H1UB C1U H1UC 109.5 . .
C15 C1M H1MA 109.5 . .
C15 C1M H1MB 109.5 . .
H1MA C1M H1MB 109.5 . .
C15 C1M H1MC 109.5 . .
H1MA C1M H1MC 109.5 . .
H1MB C1M H1MC 109.5 . .
C2 C1I H1IA 109.5 . .
C2 C1I H1IB 109.5 . .
H1IA C1I H1IB 109.5 . .
C2 C1I H1IC 109.5 . .
H1IA C1I H1IC 109.5 . .
H1IB C1I H1IC 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S6 2.479(3) .
Ag1 S2 2.494(3) .
Ag1 S2 2.520(3) 5
Ag1 Ag2 2.9015(12) .
Ag1 Ag2 3.0828(12) 5
Ag1 Ag4 3.3526(13) .
Ag2 S1 2.463(4) .
Ag2 S5 2.502(3) .
Ag2 S5 2.512(3) 9
Ag2 Ag1 3.0828(12) 9
Ag3 S7 2.504(3) .
Ag3 S3 2.513(3) .
Ag3 S4 2.537(3) 27_645
Ag3 Ag3 2.745(3) 27_645
Ag3 Ag4 3.3505(13) .
Ag4 S4 2.560(3) .
Ag4 S7 2.589(3) .
Ag4 S1 2.590(3) .
Ag4 S6 2.613(3) .
Ag5 S3 2.555(3) .
Ag5 S3 2.555(3) 24_654
Ag5 S3 2.555(3) 46_455
Ag5 S3 2.555(3) 27_645
S1 C14 1.718(14) .
S2 C14 1.742(13) .
S2 Ag1 2.520(3) 9
S3 C17 1.701(13) .
S4 C17 1.720(13) .
S4 Ag3 2.537(3) 27_645
S5 C11 1.723(12) .
S5 Ag2 2.512(3) 5
S6 C11 1.731(13) .
S7 C10 1.747(9) .
N1 C11 1.343(15) .
N1 C4 1.406(18) .
N1 C19 1.495(19) .
N2 C10 1.34(2) .
N2 C13 1.469(16) 27_645
N2 C13 1.469(16) .
N3 C14 1.317(14) .
N3 C8 1.491(19) .
N3 C15 1.55(2) .
C4 C1U 1.55(2) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C8 C12 1.43(2) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
N9 C17 1.360(15) .
N9 C2 1.48(2) .
N9 C18 1.590(19) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C20 1.40(2) .
C13 H13 0.9300 .
C15 C1M 1.36(3) .
C15 H15 0.9300 .
C16 C19 1.51(2) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C18 C9 1.40(2) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C2 C1I 1.56(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 S7 1.747(9) 27_645
C1U H1UA 0.9600 .
C1U H1UB 0.9600 .
C1U H1UC 0.9600 .
C1M H1MA 0.9600 .
C1M H1MB 0.9600 .
C1M H1MC 0.9600 .
C1I H1IA 0.9600 .
C1I H1IB 0.9600 .
C1I H1IC 0.9600 .
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_4
C11 N1 C4 C1U -92.6(17) . .
C19 N1 C4 C1U 88.6(17) . .
C14 N3 C8 C12 -91.5(18) . .
C15 N3 C8 C12 94.8(18) . .
C4 N1 C11 S5 3.7(17) . .
C19 N1 C11 S5 -177.5(10) . .
C4 N1 C11 S6 -175.4(11) . .
C19 N1 C11 S6 3.4(17) . .
Ag2 S5 C11 N1 138.7(8) . .
Ag2 S5 C11 N1 -123.7(8) 5 .
Ag2 S5 C11 S6 -42.1(8) . .
Ag2 S5 C11 S6 55.4(7) 5 .
Ag1 S6 C11 N1 175.7(9) . .
Ag4 S6 C11 N1 -100.7(9) . .
Ag1 S6 C11 S5 -3.4(8) . .
Ag4 S6 C11 S5 80.2(7) . .
C10 N2 C13 C20 -95.4(14) . .
C13 N2 C13 C20 84.6(14) 27_645 .
C8 N3 C14 S1 179.3(10) . .
C15 N3 C14 S1 -7.1(16) . .
C8 N3 C14 S2 0.2(17) . .
C15 N3 C14 S2 173.7(10) . .
Ag2 S1 C14 N3 174.9(9) . .
Ag4 S1 C14 N3 -100.0(10) . .
Ag2 S1 C14 S2 -6.0(8) . .
Ag4 S1 C14 S2 79.1(7) . .
Ag1 S2 C14 N3 140.5(9) . .
Ag1 S2 C14 N3 -123.2(9) 9 .
Ag1 S2 C14 S1 -38.6(9) . .
Ag1 S2 C14 S1 57.6(8) 9 .
C14 N3 C15 C1M -88(2) . .
C8 N3 C15 C1M 86(2) . .
C2 N9 C17 S3 -5(2) . .
C18 N9 C17 S3 -171.7(12) . .
C2 N9 C17 S4 174.0(13) . .
C18 N9 C17 S4 7.4(19) . .
Ag3 S3 C17 N9 -171.5(10) . .
Ag5 S3 C17 N9 96.4(11) . .
Ag3 S3 C17 S4 9.5(9) . .
Ag5 S3 C17 S4 -82.6(8) . .
Ag3 S4 C17 N9 -154.5(9) 27_645 .
Ag4 S4 C17 N9 117.9(10) . .
Ag3 S4 C17 S3 24.5(9) 27_645 .
Ag4 S4 C17 S3 -63.1(8) . .
C17 N9 C18 C9 -90.5(19) . .
C2 N9 C18 C9 101.6(18) . .
C11 N1 C19 C16 -86.1(18) . .
C4 N1 C19 C16 92.8(19) . .
C17 N9 C2 C1I 89(2) . .
C18 N9 C2 C1I -103(2) . .
C13 N2 C10 S7 -167.1(8) 27_645 .
C13 N2 C10 S7 12.9(8) . .
C13 N2 C10 S7 12.9(8) 27_645 27_645
C13 N2 C10 S7 -167.1(8) . 27_645
Ag3 S7 C10 N2 -165.75(8) . .
Ag4 S7 C10 N2 110.89(9) . .
Ag3 S7 C10 S7 14.25(8) . 27_645
Ag4 S7 C10 S7 -69.11(9) . 27_645
