#------------------------------------------------------------------------------
#$Date: 2017-05-06 01:16:50 +0300 (Sat, 06 May 2017) $
#$Revision: 196475 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/56/1545608.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_1545608
loop_
_publ_author_name
'Li, Xiao-Yu'
'Su, Hai-Feng'
'Kurmoo, Mohamedally'
'Tung, Chen-Ho'
'Sun, Di'
'Zheng, Lan-Sun'
_publ_section_title
;
 Structure, solution assembly, and electroconductivity of nanosized
 argento-organic-cluster/framework templated by chromate.
;
_journal_issue                   16
_journal_name_full               Nanoscale
_journal_page_first              5305
_journal_page_last               5314
_journal_paper_doi               10.1039/c7nr00732a
_journal_volume                  9
_journal_year                    2017
_chemical_formula_sum            'C124 H270 Ag41 Cr2 N7 O17 S30'
_chemical_formula_weight         7619.94
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c'
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-03-04 deposited with the CCDC.
2017-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   22.6491(3)
_cell_length_b                   22.6491(3)
_cell_length_c                   71.0014(13)
_cell_measurement_reflns_used    37999
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.312
_cell_measurement_theta_min      2.763
_cell_volume                     31542.7(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71000
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            29786
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    4.157
_exptl_absorpt_correction_T_max  0.6812
_exptl_absorpt_correction_T_min  0.6353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             21924
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.448
_refine_diff_density_min         -2.107
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     269
_refine_ls_number_reflns         6177
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0920P)²+1097.5416P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1638
_refine_ls_wR_factor_ref         0.1720
_reflns_number_gt                5442
_reflns_number_total             6177
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nr00732a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 1545608--1545612.cif.'
_cod_original_cell_volume        31542.7(7)
_cod_database_code               1545608
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'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-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'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+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-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+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-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+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.3333 0.6667 0.628504(15) 0.0461(3) Uani 1 3 d S
Ag2 Ag 0.44527(4) 0.65630(4) 0.601267(11) 0.0519(2) Uani 1 1 d .
Ag3 Ag 0.34744(4) 0.53117(5) 0.579218(10) 0.0553(2) Uani 1 1 d .
Ag4 Ag 0.52241(4) 0.67022(4) 0.564968(12) 0.0579(2) Uani 1 1 d .
Ag5 Ag 0.6667 0.74169(5) 0.5833 0.0531(3) Uani 1 2 d S
Ag6 Ag 0.49035(5) 0.77121(4) 0.540999(10) 0.0611(3) Uani 1 1 d .
Ag7 Ag 0.41081(6) 0.67032(6) 0.506111(17) 0.0791(3) Uani 1 1 d .
Ag8 Ag 0.44160(7) 0.56034(6) 0.519101(15) 0.0927(4) Uani 1 1 d .
S1 S 0.3389(2) 0.54899(19) 0.49795(5) 0.0782(9) Uani 1 1 d .
S2 S 0.38016(13) 0.50459(13) 0.54999(4) 0.0515(6) Uani 1 1 d .
S3 S 0.55519(14) 0.65917(15) 0.59637(4) 0.0608(7) Uani 1 1 d .
S4 S 0.43924(11) 0.76338(11) 0.60967(3) 0.0388(5) Uani 1 1 d .
S5 S 0.51363(15) 0.68295(17) 0.53192(4) 0.0662(7) Uani 1 1 d .
O1 O 0.6754(8) 0.8472(8) 0.5990(2) 0.062(3) Uani 0.50 1 d PU
O2 O 0.6096(8) 0.8133(8) 0.5743(2) 0.061(3) Uani 0.50 1 d PU
O3 O 0.6113(8) 0.8920(8) 0.5926(2) 0.063(4) Uani 0.50 1 d PU
N1 N 0.6312(10) 0.8515(10) 0.5884(3) 0.061(2) Uani 0.50 1 d PU
N2 N 0.4898(7) 0.5150(7) 0.50433(17) 0.0809(14) Uani 0.50 1 d PU
N2A N 0.3333 0.6667 0.65856(19) 0.0475(11) Uani 0.50 3 d SPU
C1 C 0.344(2) 0.4766(13) 0.4696(7) 0.35(3) Uiso 1 1 d DU
H1A H 0.3022 0.4451 0.4628 0.522 Uiso 1 1 calc R
H1B H 0.3452 0.4566 0.4817 0.522 Uiso 1 1 calc R
H1C H 0.3837 0.4847 0.4621 0.522 Uiso 1 1 calc R
C2 C 0.3459(15) 0.5451(16) 0.4729(4) 0.197(9) Uiso 1 1 d DU
H2 H 0.3073 0.5459 0.4663 0.236 Uiso 1 1 calc R
C3 C 0.4147(12) 0.5933(14) 0.4633(4) 0.198(9) Uiso 1 1 d DU
H3A H 0.4448 0.5733 0.4627 0.238 Uiso 1 1 calc R
H3B H 0.4390 0.6386 0.4694 0.238 Uiso 1 1 calc R
C4 C 0.386(2) 0.597(2) 0.4434(4) 0.32(3) Uiso 1 1 d DU
H4A H 0.3672 0.5520 0.4373 0.481 Uiso 1 1 calc R
H4B H 0.4230 0.6312 0.4357 0.481 Uiso 1 1 calc R
H4C H 0.3502 0.6083 0.4449 0.481 Uiso 1 1 calc R
C5 C 0.3838(15) 0.3282(14) 0.5558(4) 0.167(9) Uiso 1 1 d U
H5A H 0.3711 0.3123 0.5428 0.251 Uiso 1 1 calc R
H5B H 0.3442 0.3030 0.5640 0.251 Uiso 1 1 calc R
H5C H 0.4207 0.3206 0.5598 0.251 Uiso 1 1 calc R
C6 C 0.4074(8) 0.4036(7) 0.5568(2) 0.085(3) Uani 1 1 d U
H6A H 0.4182 0.4197 0.5700 0.102 Uiso 1 1 calc R
H6B H 0.4489 0.4299 0.5491 0.102 Uiso 1 1 calc R
C7 C 0.3511(8) 0.4128(6) 0.5495(2) 0.081(3) Uani 1 1 d U
H7 H 0.3112 0.3888 0.5582 0.097 Uiso 1 1 calc R
C8 C 0.3287(9) 0.3847(8) 0.5298(2) 0.104(6) Uani 1 1 d U
H8A H 0.2897 0.3895 0.5261 0.156 Uiso 1 1 calc R
H8B H 0.3156 0.3363 0.5296 0.156 Uiso 1 1 calc R
H8C H 0.3664 0.4099 0.5210 0.156 Uiso 1 1 calc R
C9 C 0.558(2) 0.549(3) 0.6263(5) 0.47(4) Uiso 1 1 d DU
H9A H 0.5933 0.5973 0.6245 0.699 Uiso 1 1 calc R
H9B H 0.5791 0.5207 0.6255 0.699 Uiso 1 1 calc R
H9C H 0.5368 0.5438 0.6387 0.699 Uiso 1 1 calc R
C10 C 0.5035(12) 0.5282(14) 0.6107(4) 0.162(7) Uiso 1 1 d DU
H10A H 0.4819 0.4791 0.6077 0.195 Uiso 1 1 calc R
H10B H 0.4679 0.5396 0.6141 0.195 Uiso 1 1 calc R
C11 C 0.5486(14) 0.5729(13) 0.5946(3) 0.160(7) Uiso 1 1 d DU
H11 H 0.5931 0.5866 0.6009 0.192 Uiso 1 1 calc R
C12 C 0.5656(8) 0.5574(8) 0.5778(2) 0.081(4) Uiso 1 1 d U
H12A H 0.5310 0.5505 0.5684 0.121 Uiso 1 1 calc R
H12B H 0.5680 0.5155 0.5791 0.121 Uiso 1 1 calc R
H12C H 0.6100 0.5948 0.5738 0.121 Uiso 1 1 calc R
C13 C 0.705(3) 0.720(3) 0.5164(8) 0.38(3) Uiso 1 1 d U
H13A H 0.7014 0.7003 0.5040 0.563 Uiso 1 1 calc R
H13B H 0.7389 0.7169 0.5240 0.563 Uiso 1 1 calc R
H13C H 0.7177 0.7685 0.5150 0.563 Uiso 1 1 calc R
C14 C 0.6349(10) 0.6820(10) 0.5263(3) 0.108(4) Uiso 1 1 d U
H14A H 0.6067 0.6358 0.5209 0.130 Uiso 1 1 calc R
H14B H 0.6405 0.6777 0.5400 0.130 Uiso 1 1 calc R
C15 C 0.6027(10) 0.7262(10) 0.5226(3) 0.107(4) Uiso 1 1 d U
H15 H 0.6299 0.7702 0.5295 0.129 Uiso 1 1 calc R
C16 C 0.5997(15) 0.7425(15) 0.5016(4) 0.170(10) Uiso 1 1 d U
H16A H 0.5692 0.7004 0.4948 0.255 Uiso 1 1 calc R
H16B H 0.6455 0.7633 0.4961 0.255 Uiso 1 1 calc R
H16C H 0.5824 0.7744 0.5005 0.255 Uiso 1 1 calc R
C18 C 0.5094(11) 0.8247(11) 0.6261(3) 0.127(5) Uiso 1 1 d DU
H18 H 0.5486 0.8643 0.6197 0.153 Uiso 1 1 calc R
C19 C 0.5286(11) 0.7807(10) 0.6382(3) 0.129(5) Uiso 1 1 d DU
H19A H 0.5443 0.7555 0.6302 0.154 Uiso 1 1 calc R
H19B H 0.4890 0.7474 0.6457 0.154 Uiso 1 1 calc R
C21 C 0.3333 0.6667 0.65856(19) 0.0475(11) Uani 0.50 3 d SPU
C21A C 0.4898(7) 0.5150(7) 0.50433(17) 0.0809(14) Uani 0.50 1 d PU
Cr1 Cr 0.3333 0.6667 0.56002(3) 0.0317(5) Uani 1 3 d S
O4 O 0.3333 0.6667 0.53713(14) 0.048(3) Uani 1 3 d S
O5 O 0.4051(3) 0.6742(3) 0.56775(9) 0.0424(13) Uani 1 1 d .
C20 C 0.587(2) 0.831(2) 0.6513(7) 0.56(5) Uiso 1 1 d DU
H20A H 0.6048 0.8776 0.6467 0.846 Uiso 1 1 calc R
H20B H 0.6234 0.8197 0.6515 0.846 Uiso 1 1 calc R
H20C H 0.5691 0.8272 0.6641 0.846 Uiso 1 1 calc R
C17 C 0.467(2) 0.844(3) 0.6394(5) 0.37(3) Uiso 1 1 d DU
H17A H 0.4189 0.8086 0.6386 0.561 Uiso 1 1 calc R
H17B H 0.4729 0.8878 0.6357 0.561 Uiso 1 1 calc R
H17C H 0.4830 0.8462 0.6524 0.561 Uiso 1 1 calc R
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'
Cr Cr 0.3209 0.6236 '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
_geom_angle_publ_flag
N2A Ag1 S4 120.16(5) . 2_665 y
N2A Ag1 S4 120.16(5) . . y
S4 Ag1 S4 96.97(6) 2_665 . y
N2A Ag1 S4 120.16(5) . 3_565 ?
S4 Ag1 S4 96.97(6) 2_665 3_565 y
S4 Ag1 S4 96.97(6) . 3_565 y
N2A Ag1 Ag2 126.01(2) . 2_665 ?
S4 Ag1 Ag2 49.74(5) 2_665 2_665 ?
S4 Ag1 Ag2 49.91(5) . 2_665 ?
S4 Ag1 Ag2 113.83(6) 3_565 2_665 ?
N2A Ag1 Ag2 126.01(2) . 3_565 ?
S4 Ag1 Ag2 49.91(5) 2_665 3_565 ?
S4 Ag1 Ag2 113.83(6) . 3_565 ?
S4 Ag1 Ag2 49.74(5) 3_565 3_565 ?
Ag2 Ag1 Ag2 88.94(3) 2_665 3_565 ?
N2A Ag1 Ag2 126.01(2) . . ?
S4 Ag1 Ag2 113.83(6) 2_665 . ?
S4 Ag1 Ag2 49.74(5) . . ?
S4 Ag1 Ag2 49.91(5) 3_565 . ?
Ag2 Ag1 Ag2 88.94(3) 2_665 . ?
Ag2 Ag1 Ag2 88.94(3) 3_565 . ?
S3 Ag2 S4 122.30(9) . . y
S3 Ag2 S4 133.46(9) . 3_565 y
S4 Ag2 S4 101.69(10) . 3_565 y
S3 Ag2 Ag3 101.98(8) . . ?
S4 Ag2 Ag3 130.30(6) . . ?
S4 Ag2 Ag3 50.03(5) 3_565 . ?
S3 Ag2 Ag4 50.32(7) . . ?
S4 Ag2 Ag4 113.48(6) . . ?
S4 Ag2 Ag4 126.81(6) 3_565 . ?
Ag3 Ag2 Ag4 76.80(3) . . ?
S3 Ag2 Ag1 151.57(8) . . ?
S4 Ag2 Ag1 52.32(5) . . ?
S4 Ag2 Ag1 52.29(5) 3_565 . ?
Ag3 Ag2 Ag1 98.15(3) . . ?
Ag4 Ag2 Ag1 156.14(3) . . ?
S2 Ag3 S4 175.04(9) . 3_565 y
S2 Ag3 Ag2 120.96(7) . . ?
S4 Ag3 Ag2 55.32(6) 3_565 . ?
S2 Ag3 Ag6 50.94(7) . 3_565 ?
S4 Ag3 Ag6 133.81(6) 3_565 3_565 ?
Ag2 Ag3 Ag6 133.60(4) . 3_565 ?
S5 Ag4 S3 167.10(10) . . y
S5 Ag4 Ag2 140.20(8) . . ?
S3 Ag4 Ag2 52.69(7) . . ?
S5 Ag4 Ag5 118.57(8) . . ?
S3 Ag4 Ag5 50.75(7) . . ?
Ag2 Ag4 Ag5 95.63(3) . . ?
S5 Ag4 Ag6 47.95(8) . . ?
S3 Ag4 Ag6 139.25(8) . . ?
Ag2 Ag4 Ag6 101.54(3) . . ?
Ag5 Ag4 Ag6 113.80(4) . . ?
S3 Ag5 S3 151.34(14) 17_655 . y
S3 Ag5 O1 96.8(4) 17_655 17_655 y
S3 Ag5 O1 109.0(4) . 17_655 y
S3 Ag5 O1 109.0(4) 17_655 . y
S3 Ag5 O1 96.8(4) . . y
O1 Ag5 O1 52.3(7) 17_655 . y
S3 Ag5 Ag4 130.80(8) 17_655 . ?
S3 Ag5 Ag4 49.37(7) . . ?
O1 Ag5 Ag4 75.7(4) 17_655 . ?
O1 Ag5 Ag4 103.8(4) . . ?
S3 Ag5 Ag4 49.37(7) 17_655 17_655 ?
S3 Ag5 Ag4 130.81(8) . 17_655 ?
O1 Ag5 Ag4 103.8(4) 17_655 17_655 ?
O1 Ag5 Ag4 75.7(4) . 17_655 ?
Ag4 Ag5 Ag4 179.46(5) . 17_655 ?
S2 Ag6 S5 166.64(11) 2_665 . y
S2 Ag6 Ag3 50.49(6) 2_665 2_665 ?
S5 Ag6 Ag3 131.51(8) . 2_665 ?
S2 Ag6 Ag4 130.18(7) 2_665 . ?
S5 Ag6 Ag4 47.63(8) . . ?
Ag3 Ag6 Ag4 84.08(3) 2_665 . ?
S2 Ag6 Ag7 129.46(7) 2_665 . ?
S5 Ag6 Ag7 58.84(8) . . ?
Ag3 Ag6 Ag7 142.95(4) 2_665 . ?
Ag4 Ag6 Ag7 98.45(4) . . ?
S1 Ag7 S1 148.06(17) 2_665 . y
S1 Ag7 S5 101.90(12) 2_665 . y
S1 Ag7 S5 108.26(12) . . y
S1 Ag7 Ag7 52.95(10) 2_665 2_665 ?
S1 Ag7 Ag7 110.85(10) . 2_665 ?
S5 Ag7 Ag7 129.53(7) . 2_665 ?
S1 Ag7 Ag7 111.05(10) 2_665 3_565 ?
S1 Ag7 Ag7 52.75(10) . 3_565 ?
S5 Ag7 Ag7 133.70(7) . 3_565 ?
Ag7 Ag7 Ag7 60.000(1) 2_665 3_565 ?
S1 Ag7 Ag8 149.63(10) 2_665 . ?
S1 Ag7 Ag8 56.84(10) . . ?
S5 Ag7 Ag8 51.72(7) . . ?
Ag7 Ag7 Ag8 153.30(5) 2_665 . ?
Ag7 Ag7 Ag8 99.16(6) 3_565 . ?
S1 Ag7 Ag6 68.51(9) 2_665 . ?
S1 Ag7 Ag6 142.34(10) . . ?
S5 Ag7 Ag6 45.74(7) . . ?
Ag7 Ag7 Ag6 84.10(4) 2_665 . ?
Ag7 Ag7 Ag6 119.95(3) 3_565 . ?
Ag8 Ag7 Ag6 94.09(4) . . ?
N2 Ag8 S2 118.0(3) . . y
N2 Ag8 S5 119.7(4) . . y
S2 Ag8 S5 97.08(9) . . y
N2 Ag8 S1 108.1(4) . . y
S2 Ag8 S1 101.60(11) . . y
S5 Ag8 S1 110.68(12) . . y
N2 Ag8 Ag7 129.2(3) . . ?
S2 Ag8 Ag7 111.81(7) . . ?
S5 Ag8 Ag7 60.49(8) . . ?
S1 Ag8 Ag7 50.51(8) . . ?
C2 S1 Ag7 110.6(10) . 3_565 ?
C2 S1 Ag7 105.3(10) . . ?
Ag7 S1 Ag7 74.30(11) 3_565 . ?
C2 S1 Ag8 117.9(10) . . ?
Ag7 S1 Ag8 126.54(14) 3_565 . ?
Ag7 S1 Ag8 72.66(11) . . ?
C7 S2 Ag3 108.8(5) . . ?
C7 S2 Ag6 103.6(5) . 3_565 ?
Ag3 S2 Ag6 78.57(8) . 3_565 ?
C7 S2 Ag8 109.8(5) . . ?
Ag3 S2 Ag8 141.42(11) . . ?
Ag6 S2 Ag8 92.28(10) 3_565 . ?
C11 S3 Ag4 100.2(8) . . ?
C11 S3 Ag5 106.4(8) . . ?
Ag4 S3 Ag5 79.88(9) . . ?
C11 S3 Ag2 115.0(8) . . ?
Ag4 S3 Ag2 76.98(8) . . ?
Ag5 S3 Ag2 135.26(11) . . ?
C18 S4 Ag3 105.4(6) . 2_665 ?
C18 S4 Ag2 114.4(6) . . ?
Ag3 S4 Ag2 97.40(8) 2_665 . ?
C18 S4 Ag2 117.9(6) . 2_665 ?
Ag3 S4 Ag2 74.65(7) 2_665 2_665 ?
Ag2 S4 Ag2 127.35(9) . 2_665 ?
C18 S4 Ag1 111.9(6) . . ?
Ag3 S4 Ag1 140.85(9) 2_665 . ?
Ag2 S4 Ag1 77.94(6) . . ?
Ag2 S4 Ag1 77.80(6) 2_665 . ?
C15 S5 Ag4 106.1(6) . . ?
C15 S5 Ag6 106.8(6) . . ?
Ag4 S5 Ag6 84.42(9) . . ?
C15 S5 Ag8 112.0(6) . . ?
Ag4 S5 Ag8 105.24(13) . . ?
Ag6 S5 Ag8 135.03(14) . . ?
C15 S5 Ag7 115.9(6) . . ?
Ag4 S5 Ag7 136.95(11) . . ?
Ag6 S5 Ag7 75.42(10) . . ?
Ag8 S5 Ag7 67.79(8) . . ?
O2 O1 N1 110.7(18) 17_655 . ?
O2 O1 N1 48.4(12) 17_655 17_655 ?
N1 O1 N1 62.3(15) . 17_655 ?
O2 O1 Ag5 81.2(13) 17_655 . ?
N1 O1 Ag5 96.8(12) . . ?
N1 O1 Ag5 87.7(9) 17_655 . ?
O1 O2 N1 92.5(17) 17_655 . ?
O3 N1 O2 122.8(18) . . ?
O3 N1 O1 119.8(18) . . ?
O2 N1 O1 117.4(18) . . ?
O3 N1 N1 112.9(12) . 17_655 ?
O2 N1 N1 86.0(17) . 17_655 ?
O1 N1 N1 70.9(14) . 17_655 ?
O3 N1 O1 129.7(17) . 17_655 ?
O2 N1 O1 39.1(10) . 17_655 ?
O1 N1 O1 97.7(16) . 17_655 ?
N1 N1 O1 46.9(11) 17_655 17_655 ?
C21A N2 N2 0.0(14) 19_666 19_666 ?
C21A N2 Ag8 173.5(18) 19_666 . ?
N2 N2 Ag8 173.5(18) 19_666 . ?
C21 N2A N2A 0.000(4) 25_566 25_566 ?
C3 C2 C1 98.8(7) . . ?
C3 C2 S1 119(2) . . ?
C1 C2 S1 104(3) . . ?
C2 C3 C4 97.8(7) . . ?
C7 C6 C5 107.3(15) . . ?
C6 C7 C8 113.1(13) . . ?
C6 C7 S2 107.8(10) . . ?
C8 C7 S2 110.4(11) . . ?
C11 C10 C9 99.3(9) . . ?
C12 C11 C10 132(2) . . ?
C12 C11 S3 116.3(16) . . ?
C10 C11 S3 108.4(19) . . ?
C15 C14 C13 104(3) . . ?
C14 C15 C16 114.5(19) . . ?
C14 C15 S5 109.9(13) . . ?
C16 C15 S5 107.5(15) . . ?
C19 C18 C17 104.6(8) . . ?
C19 C18 S4 106.0(14) . . ?
C17 C18 S4 100(2) . . ?
C18 C19 C20 105.9(9) . . ?
O4 Cr1 O5 109.5(2) . 2_665 ?
O4 Cr1 O5 109.5(2) . 3_565 ?
O5 Cr1 O5 109.4(2) 2_665 3_565 ?
O4 Cr1 O5 109.5(2) . . ?
O5 Cr1 O5 109.4(2) 2_665 . ?
O5 Cr1 O5 109.4(2) 3_565 . ?
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 N2A 2.134(14) . y
Ag1 S4 2.662(2) 2_665 y
Ag1 S4 2.662(2) . y
Ag1 S4 2.662(2) 3_565 y
Ag1 Ag2 3.2890(10) 2_665 y
Ag1 Ag2 3.2890(10) 3_565 y
Ag1 Ag2 3.2890(10) . y
Ag2 S3 2.482(3) . y
Ag2 S4 2.567(2) . y
Ag2 S4 2.574(2) 3_565 y
Ag2 Ag3 3.0188(12) . y
Ag2 Ag4 3.0404(11) . y
Ag3 S2 2.380(2) . y
Ag3 S4 2.399(2) 3_565 y
Ag3 Ag6 3.0233(11) 3_565 y
Ag4 S5 2.384(3) . y
Ag4 S3 2.402(3) . y
Ag4 Ag5 3.1155(9) . y
Ag4 Ag6 3.2121(12) . y
Ag5 S3 2.451(3) 17_655 y
Ag5 S3 2.451(3) . y
Ag5 O1 2.550(16) 17_655 y
Ag5 O1 2.550(16) . y
Ag5 Ag4 3.1155(9) 17_655 y
Ag6 S2 2.395(3) 2_665 y
Ag6 S5 2.397(3) . y
Ag6 Ag3 3.0233(11) 2_665 y
Ag6 Ag7 3.2383(14) . y
Ag7 S1 2.456(4) 2_665 y
Ag7 S1 2.463(4) . y
Ag7 S5 2.863(4) . y
Ag7 Ag7 2.9703(19) 2_665 y
Ag7 Ag7 2.9703(19) 3_565 y
Ag7 Ag8 3.0461(17) . y
Ag8 N2 2.113(11) . y
Ag8 S2 2.566(3) . y
Ag8 S5 2.583(3) . y
Ag8 S1 2.671(4) . y
S1 C2 1.79(3) . ?
S1 Ag7 2.456(4) 3_565 ?
S2 C7 1.840(12) . ?
S2 Ag6 2.395(3) 3_565 ?
S3 C11 1.89(3) . ?
S4 C18 1.90(2) . ?
S4 Ag3 2.399(2) 2_665 ?
S4 Ag2 2.574(2) 2_665 ?
S5 C15 1.869(19) . ?
O1 O2 1.06(2) 17_655 ?
O1 N1 1.29(2) . ?
O1 N1 1.67(3) 17_655 ?
O2 O1 1.06(2) 17_655 ?
O2 N1 1.25(2) . ?
O3 N1 1.24(2) . ?
N1 N1 1.57(4) 17_655 ?
N1 O1 1.67(3) 17_655 ?
N2 C21A 1.17(2) 19_666 ?
N2 N2 1.17(2) 19_666 ?
N2A C21 1.15(3) 25_566 ?
N2A N2A 1.15(3) 25_566 ?
C1 C2 1.549(10) . ?
C2 C3 1.546(10) . ?
C3 C4 1.566(10) . ?
C5 C6 1.51(3) . ?
C6 C7 1.49(2) . ?
C7 C8 1.51(2) . ?
C9 C10 1.548(10) . ?
C10 C11 1.531(10) . ?
C11 C12 1.35(3) . ?
C13 C14 1.54(5) . ?
C14 C15 1.53(3) . ?
C15 C16 1.55(3) . ?
C18 C19 1.535(10) . ?
C18 C17 1.550(2) . ?
C19 C20 1.550(10) . ?
Cr1 O4 1.625(10) . ?
Cr1 O5 1.642(6) 2_665 ?
Cr1 O5 1.642(6) 3_565 ?
Cr1 O5 1.642(6) . ?
