#------------------------------------------------------------------------------
#$Date: 2017-05-06 01:16:50 +0300 (Sat, 06 May 2017) $
#$Revision: 196475 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/56/1545612.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_1545612
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            'C50 H98 Ag20 Cr5 F12 N4 O30 S10'
_chemical_formula_weight         4201.32
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           172
_space_group_name_Hall           'P 64'
_space_group_name_H-M_alt        'P 64'
_symmetry_space_group_name_Hall  'P 64'
_symmetry_space_group_name_H-M   'P 64'
_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            3
_cell_length_a                   17.6030(3)
_cell_length_b                   17.6030(3)
_cell_length_c                   29.2412(5)
_cell_measurement_reflns_used    9932
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.909
_cell_measurement_theta_min      4.833
_cell_volume                     7846.9(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            47425
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    4.424
_exptl_absorpt_correction_T_max  0.8091
_exptl_absorpt_correction_T_min  0.7185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5982
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.107
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     606
_refine_ls_number_reflns         9278
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0130P)²+10.8740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0404
_refine_ls_wR_factor_ref         0.0417
_reflns_number_gt                8561
_reflns_number_total             9278
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7nr00732a2.cif
_cod_data_source_block           p64
_cod_depositor_comments
'Adding full bibliography for 1545608--1545612.cif.'
_cod_database_code               1545612
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+2/3'
'-y, x-y, z+1/3'
'-x, -y, z'
'-x+y, -x, z+2/3'
'y, -x+y, z+1/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.31988(3) 0.34934(3) 0.321387(14) 0.01663(9) Uani 1 1 d .
Ag2 Ag 0.23285(3) 0.44640(3) 0.292379(15) 0.01777(10) Uani 1 1 d .
Ag3 Ag 0.33279(3) 0.57120(3) 0.212504(15) 0.02129(11) Uani 1 1 d .
Ag4 Ag 0.51420(3) 0.71516(3) 0.170971(14) 0.01732(10) Uani 1 1 d .
Ag5 Ag 0.70230(3) 0.77708(3) 0.186253(15) 0.01713(10) Uani 1 1 d .
Ag6 Ag 0.80780(3) 0.71047(3) 0.239798(15) 0.02033(10) Uani 1 1 d .
Ag7 Ag 0.57840(3) 0.74865(3) 0.267337(14) 0.01835(10) Uani 1 1 d .
Ag8 Ag 0.38316(3) 0.63175(3) 0.315025(15) 0.02073(10) Uani 1 1 d .
Ag9 Ag 0.5000 0.5000 0.35276(2) 0.02035(15) Uani 1 2 d S
Ag10 Ag 0.5000 0.5000 0.12486(2) 0.02026(15) Uani 1 2 d S
Ag11 Ag 0.70888(3) 0.62079(3) 0.152678(15) 0.01807(10) Uani 1 1 d .
S1 S 0.35823(9) 0.49568(9) 0.35273(5) 0.0131(3) Uani 1 1 d .
S2 S 0.21070(9) 0.42416(9) 0.20472(5) 0.0149(3) Uani 1 1 d .
S3 S 0.43326(9) 0.71397(9) 0.24362(5) 0.0144(3) Uani 1 1 d .
S4 S 0.60054(9) 0.66153(9) 0.12923(5) 0.0152(3) Uani 1 1 d .
S5 S 0.72867(9) 0.77994(9) 0.27228(5) 0.0145(3) Uani 1 1 d .
C1 C 0.9269(4) 0.8671(3) 0.1505(2) 0.0216(14) Uani 1 1 d .
H1 H 0.9070 0.8547 0.1197 0.026 Uiso 1 1 calc R
C2 C 1.0503(4) 0.9270(4) 0.20280(19) 0.0314(16) Uani 1 1 d .
H2A H 1.0034 0.9077 0.2256 0.047 Uiso 1 1 calc R
H2B H 1.0900 0.9904 0.2058 0.047 Uiso 1 1 calc R
H2C H 1.0831 0.8963 0.2078 0.047 Uiso 1 1 calc R
C3 C 1.0735(4) 0.9308(5) 0.1196(2) 0.0411(18) Uani 1 1 d .
H3A H 1.1042 0.8974 0.1218 0.062 Uiso 1 1 calc R
H3B H 1.1163 0.9937 0.1209 0.062 Uiso 1 1 calc R
H3C H 1.0414 0.9172 0.0907 0.062 Uiso 1 1 calc R
C4 C 0.1121(9) 0.6100(8) 0.4062(3) 0.134(5) Uani 1 1 d .
H4A H 0.1453 0.5923 0.4261 0.201 Uiso 1 1 calc R
H4B H 0.0499 0.5771 0.4146 0.201 Uiso 1 1 calc R
H4C H 0.1341 0.6730 0.4099 0.201 Uiso 1 1 calc R
C5 C 0.0846(8) 0.6306(11) 0.3215(4) 0.165(7) Uani 1 1 d .
H5A H 0.1334 0.6756 0.3036 0.247 Uiso 1 1 calc R
H5B H 0.0529 0.6565 0.3363 0.247 Uiso 1 1 calc R
H5C H 0.0446 0.5830 0.3013 0.247 Uiso 1 1 calc R
C6 C 0.1731(4) 0.5616(5) 0.3505(3) 0.047(2) Uani 1 1 d .
H6 H 0.1953 0.5437 0.3753 0.056 Uiso 1 1 calc R
C7 C 0.6529(4) 0.9234(4) 0.1664(2) 0.0253(15) Uani 1 1 d .
C8 C 0.6714(5) 1.0186(5) 0.1712(3) 0.0404(19) Uani 1 1 d .
C9 C 0.0547(4) 0.2598(4) 0.3135(2) 0.0332(17) Uani 1 1 d .
C10 C -0.0271(5) 0.2027(5) 0.3443(2) 0.0381(18) Uani 1 1 d .
C11 C 0.6294(4) 0.7115(4) 0.07131(19) 0.0200(13) Uani 1 1 d .
H11 H 0.5945 0.7409 0.0650 0.024 Uiso 1 1 calc R
C12 C 0.6069(4) 0.6417(4) 0.0360(2) 0.0350(17) Uani 1 1 d .
H12A H 0.6405 0.6120 0.0419 0.052 Uiso 1 1 calc R
H12B H 0.6215 0.6685 0.0056 0.052 Uiso 1 1 calc R
H12C H 0.5440 0.5990 0.0375 0.052 Uiso 1 1 calc R
C13 C 0.7255(5) 0.7800(5) 0.0712(3) 0.051(2) Uani 1 1 d .
H13A H 0.7379 0.8207 0.0967 0.076 Uiso 1 1 calc R
H13B H 0.7402 0.8125 0.0423 0.076 Uiso 1 1 calc R
H13C H 0.7607 0.7514 0.0745 0.076 Uiso 1 1 calc R
C14 C 0.4056(4) 0.8019(4) 0.2405(2) 0.0225(14) Uani 1 1 d .
H14 H 0.4278 0.8333 0.2107 0.027 Uiso 1 1 calc R
C15 C 0.3087(5) 0.7609(5) 0.2408(5) 0.110(5) Uani 1 1 d .
H15A H 0.2849 0.7300 0.2118 0.164 Uiso 1 1 calc R
H15B H 0.2927 0.8064 0.2446 0.164 Uiso 1 1 calc R
H15C H 0.2845 0.7191 0.2662 0.164 Uiso 1 1 calc R
C16 C 0.4516(6) 0.8662(5) 0.2784(2) 0.055(2) Uani 1 1 d .
H16A H 0.4287 0.8374 0.3079 0.082 Uiso 1 1 calc R
H16B H 0.4417 0.9159 0.2752 0.082 Uiso 1 1 calc R
H16C H 0.5147 0.8872 0.2768 0.082 Uiso 1 1 calc R
C17 C 0.2348(4) 0.3940(4) 0.4177(2) 0.0281(16) Uani 1 1 d .
H17A H 0.1929 0.3845 0.3932 0.042 Uiso 1 1 calc R
H17B H 0.2077 0.3910 0.4474 0.042 Uiso 1 1 calc R
H17C H 0.2515 0.3486 0.4161 0.042 Uiso 1 1 calc R
C18 C 0.3872(4) 0.4967(4) 0.44543(18) 0.0219(14) Uani 1 1 d .
H18A H 0.4019 0.4503 0.4411 0.033 Uiso 1 1 calc R
H18B H 0.3663 0.4943 0.4768 0.033 Uiso 1 1 calc R
H18C H 0.4395 0.5540 0.4401 0.033 Uiso 1 1 calc R
C19 C 0.3160(3) 0.4837(4) 0.41191(18) 0.0164(13) Uani 1 1 d .
H19 H 0.2996 0.5298 0.4175 0.020 Uiso 1 1 calc R
C20 C 0.1026(4) 0.4074(4) 0.1865(2) 0.0199(13) Uani 1 1 d .
H20 H 0.1111 0.4386 0.1567 0.024 Uiso 1 1 calc R
C21 C 0.0393(4) 0.3120(4) 0.1786(2) 0.0296(16) Uani 1 1 d .
H21A H 0.0614 0.2902 0.1541 0.044 Uiso 1 1 calc R
H21B H -0.0179 0.3042 0.1697 0.044 Uiso 1 1 calc R
H21C H 0.0329 0.2791 0.2067 0.044 Uiso 1 1 calc R
C22 C 0.0689(4) 0.4484(5) 0.2211(2) 0.0362(17) Uani 1 1 d .
H22A H 0.0626 0.4209 0.2510 0.054 Uiso 1 1 calc R
H22B H 0.0118 0.4392 0.2110 0.054 Uiso 1 1 calc R
H22C H 0.1106 0.5115 0.2234 0.054 Uiso 1 1 calc R
C23 C 0.8096(4) 0.8899(4) 0.2930(2) 0.0219(14) Uani 1 1 d .
H23 H 0.8631 0.9120 0.2734 0.026 Uiso 1 1 calc R
C24 C 0.8361(4) 0.8848(4) 0.3416(2) 0.0296(16) Uani 1 1 d .
H24A H 0.7844 0.8610 0.3614 0.044 Uiso 1 1 calc R
H24B H 0.8796 0.9436 0.3521 0.044 Uiso 1 1 calc R
H24C H 0.8615 0.8464 0.3427 0.044 Uiso 1 1 calc R
C25 C 0.7742(4) 0.9511(3) 0.2872(2) 0.0267(15) Uani 1 1 d .
H25A H 0.7545 0.9483 0.2556 0.040 Uiso 1 1 calc R
H25B H 0.8203 1.0111 0.2943 0.040 Uiso 1 1 calc R
H25C H 0.7245 0.9338 0.3081 0.040 Uiso 1 1 calc R
Cr1 Cr 0.5000 0.5000 0.23962(5) 0.0129(2) Uani 1 2 d S
Cr2 Cr 0.41268(6) 0.24163(6) 0.39541(3) 0.0196(2) Uani 1 1 d .
Cr3 Cr 0.59002(7) 0.25184(6) 0.41993(3) 0.0224(2) Uani 1 1 d .
O1 O 0.4570(3) 0.4117(2) 0.27269(13) 0.0211(9) Uani 1 1 d .
O2 O 0.4238(3) 0.5003(3) 0.20703(13) 0.0232(10) Uani 1 1 d .
O3 O 0.3843(3) 0.3158(3) 0.38890(13) 0.0272(10) Uani 1 1 d .
O4 O 0.3413(3) 0.1597(3) 0.42511(14) 0.0335(11) Uani 1 1 d .
O5 O 0.4253(3) 0.2077(3) 0.34623(13) 0.0315(11) Uani 1 1 d .
O6 O 0.5145(3) 0.2905(3) 0.42557(13) 0.0245(10) Uani 1 1 d .
O7 O 0.5356(3) 0.1468(3) 0.41851(17) 0.0438(13) Uani 1 1 d .
O8 O 0.6559(3) 0.2863(3) 0.46357(14) 0.0312(11) Uani 1 1 d .
O9 O 0.6457(3) 0.2919(3) 0.37337(14) 0.0389(12) Uani 1 1 d .
O10 O 0.0654(3) 0.2194(3) 0.28373(15) 0.0379(12) Uani 1 1 d .
O11 O 0.0959(3) 0.3406(3) 0.32528(15) 0.0376(12) Uani 1 1 d .
O12 O 0.1947(3) 0.5538(3) 0.31235(19) 0.0512(14) Uani 1 1 d .
O13 O 0.5749(3) 0.8689(3) 0.16104(16) 0.0339(11) Uani 1 1 d .
O14 O 0.7183(3) 0.9147(3) 0.16991(14) 0.0264(10) Uani 1 1 d .
O15 O 0.8706(2) 0.8440(3) 0.18088(14) 0.0248(10) Uani 1 1 d .
F1 F 0.6172(4) 1.0242(3) 0.1973(3) 0.164(4) Uani 1 1 d .
F2 F 0.6603(5) 1.0475(3) 0.1326(3) 0.139(3) Uani 1 1 d .
F3 F 0.7509(3) 1.0768(3) 0.18242(19) 0.0727(16) Uani 1 1 d .
F4 F -0.0312(3) 0.2399(3) 0.38232(14) 0.0614(14) Uani 1 1 d .
F5 F -0.1003(2) 0.1827(3) 0.31975(15) 0.0484(11) Uani 1 1 d .
F6 F -0.0317(3) 0.1257(3) 0.35568(15) 0.0524(11) Uani 1 1 d .
N1 N 0.1222(5) 0.5923(5) 0.3601(3) 0.064(2) Uani 1 1 d .
N2 N 1.0124(3) 0.9075(3) 0.15740(17) 0.0215(11) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
S5 Ag1 S1 164.49(5) 4_665 .
S5 Ag1 O3 103.45(10) 4_665 .
S1 Ag1 O3 91.92(9) . .
S5 Ag1 O1 83.54(9) 4_665 .
S1 Ag1 O1 92.98(9) . .
O3 Ag1 O1 95.76(13) . .
S5 Ag1 Ag2 109.25(4) 4_665 .
S1 Ag1 Ag2 56.90(3) . .
O3 Ag1 Ag2 143.11(9) . .
O1 Ag1 Ag2 104.31(9) . .
S5 Ag1 Ag6 51.22(3) 4_665 4_665
S1 Ag1 Ag6 114.40(3) . 4_665
O3 Ag1 Ag6 150.93(9) . 4_665
O1 Ag1 Ag6 94.99(9) . 4_665
Ag2 Ag1 Ag6 58.041(14) . 4_665
S5 Ag1 Ag9 134.63(4) 4_665 .
S1 Ag1 Ag9 50.98(3) . .
O3 Ag1 Ag9 64.79(10) . .
O1 Ag1 Ag9 56.45(9) . .
Ag2 Ag1 Ag9 101.353(15) . .
Ag6 Ag1 Ag9 141.704(19) 4_665 .
O12 Ag2 O11 86.85(17) . .
O12 Ag2 S2 106.40(13) . .
O11 Ag2 S2 105.26(11) . .
O12 Ag2 S1 95.62(13) . .
O11 Ag2 S1 110.01(11) . .
S2 Ag2 S1 139.14(5) . .
O12 Ag2 Ag6 148.16(13) . 4_665
O11 Ag2 Ag6 78.47(11) . 4_665
S2 Ag2 Ag6 52.36(3) . 4_665
S1 Ag2 Ag6 115.89(3) . 4_665
O12 Ag2 Ag1 146.19(13) . .
O11 Ag2 Ag1 92.66(12) . .
S2 Ag2 Ag1 106.31(3) . .
S1 Ag2 Ag1 52.95(3) . .
Ag6 Ag2 Ag1 63.499(14) 4_665 .
O12 Ag2 Ag8 62.48(13) . .
O11 Ag2 Ag8 137.53(11) . .
S2 Ag2 Ag8 110.97(3) . .
S1 Ag2 Ag8 50.66(3) . .
Ag6 Ag2 Ag8 142.28(2) 4_665 .
Ag1 Ag2 Ag8 97.636(17) . .
O12 Ag2 Ag3 84.65(14) . .
O11 Ag2 Ag3 148.60(11) . .
S2 Ag2 Ag3 49.31(3) . .
S1 Ag2 Ag3 100.88(3) . .
Ag6 Ag2 Ag3 93.305(17) 4_665 .
Ag1 Ag2 Ag3 110.850(18) . .
Ag8 Ag2 Ag3 61.670(14) . .
S2 Ag3 S3 161.72(5) . .
S2 Ag3 O2 84.67(10) . .
S3 Ag3 O2 103.10(10) . .
S2 Ag3 Ag2 54.67(4) . .
S3 Ag3 Ag2 108.43(4) . .
O2 Ag3 Ag2 88.42(9) . .
S2 Ag3 Ag8 113.67(4) . .
S3 Ag3 Ag8 49.81(4) . .
O2 Ag3 Ag8 95.05(9) . .
Ag2 Ag3 Ag8 59.013(14) . .
S2 Ag3 Ag4 145.62(4) . .
S3 Ag3 Ag4 52.40(3) . .
O2 Ag3 Ag4 74.38(10) . .
Ag2 Ag3 Ag4 148.146(19) . .
Ag8 Ag3 Ag4 95.365(16) . .
O13 Ag4 S4 111.21(11) . .
O13 Ag4 O8 101.52(14) . 2_554
S4 Ag4 O8 107.16(10) . 2_554
O13 Ag4 S3 92.42(12) . .
S4 Ag4 S3 148.66(5) . .
O8 Ag4 S3 86.90(10) 2_554 .
O13 Ag4 Ag5 79.40(10) . .
S4 Ag4 Ag5 55.04(3) . .
O8 Ag4 Ag5 159.82(10) 2_554 .
S3 Ag4 Ag5 113.26(4) . .
O13 Ag4 Ag7 88.87(11) . .
S4 Ag4 Ag7 107.28(4) . .
O8 Ag4 Ag7 137.22(10) 2_554 .
S3 Ag4 Ag7 50.96(3) . .
Ag5 Ag4 Ag7 62.652(14) . .
O13 Ag4 Ag3 131.11(11) . .
S4 Ag4 Ag3 116.76(4) . .
O8 Ag4 Ag3 56.14(10) 2_554 .
S3 Ag4 Ag3 48.54(3) . .
Ag5 Ag4 Ag3 137.166(19) . .
Ag7 Ag4 Ag3 85.790(16) . .
O14 Ag5 S4 111.42(11) . .
O14 Ag5 S5 104.70(11) . .
S4 Ag5 S5 135.16(5) . .
O14 Ag5 O15 89.92(14) . .
S4 Ag5 O15 120.79(10) . .
S5 Ag5 O15 84.00(10) . .
O14 Ag5 Ag4 83.34(10) . .
S4 Ag5 Ag4 52.81(3) . .
S5 Ag5 Ag4 108.37(4) . .
O15 Ag5 Ag4 167.06(9) . .
O14 Ag5 Ag11 147.96(10) . .
S4 Ag5 Ag11 51.89(3) . .
S5 Ag5 Ag11 104.62(3) . .
O15 Ag5 Ag11 80.56(9) . .
Ag4 Ag5 Ag11 99.398(17) . .
O14 Ag5 Ag6 135.61(10) . .
S4 Ag5 Ag6 110.29(3) . .
S5 Ag5 Ag6 50.76(3) . .
O15 Ag5 Ag6 55.40(9) . .
Ag4 Ag5 Ag6 135.645(19) . .
Ag11 Ag5 Ag6 60.367(14) . .
O14 Ag5 Ag7 91.97(10) . .
S4 Ag5 Ag7 102.44(3) . .
S5 Ag5 Ag7 49.73(3) . .
O15 Ag5 Ag7 132.47(9) . .
Ag4 Ag5 Ag7 59.090(13) . .
Ag11 Ag5 Ag7 117.001(18) . .
Ag6 Ag5 Ag7 93.414(17) . .
O10 Ag6 S2 111.90(12) 4_665 4_665
O10 Ag6 S5 98.91(12) 4_665 .
S2 Ag6 S5 143.97(5) 4_665 .
O10 Ag6 Ag2 85.83(12) 4_665 4_665
S2 Ag6 Ag2 56.94(4) 4_665 4_665
S5 Ag6 Ag2 109.58(4) . 4_665
O10 Ag6 Ag11 152.45(12) 4_665 .
S2 Ag6 Ag11 51.91(4) 4_665 .
S5 Ag6 Ag11 105.18(4) . .
Ag2 Ag6 Ag11 98.285(17) 4_665 .
O10 Ag6 Ag5 132.99(12) 4_665 .
S2 Ag6 Ag5 110.01(4) 4_665 .
S5 Ag6 Ag5 53.58(3) . .
Ag2 Ag6 Ag5 136.029(19) 4_665 .
Ag11 Ag6 Ag5 58.235(14) . .
O10 Ag6 Ag1 95.52(11) 4_665 4_665
S2 Ag6 Ag1 105.80(4) 4_665 4_665
S5 Ag6 Ag1 51.13(3) . 4_665
Ag2 Ag6 Ag1 58.459(14) 4_665 4_665
Ag11 Ag6 Ag1 109.910(18) . 4_665
Ag5 Ag6 Ag1 92.760(16) . 4_665
S3 Ag7 S5 166.59(5) . .
S3 Ag7 O5 99.19(11) . 4_665
S5 Ag7 O5 94.01(11) . 4_665
S3 Ag7 O1 95.46(9) . 4_665
S5 Ag7 O1 83.31(9) . 4_665
O5 Ag7 O1 104.94(13) 4_665 4_665
S3 Ag7 Ag4 55.24(4) . .
S5 Ag7 Ag4 111.35(4) . .
O5 Ag7 Ag4 152.53(10) 4_665 .
O1 Ag7 Ag4 88.90(8) 4_665 .
S3 Ag7 Ag5 113.14(4) . .
S5 Ag7 Ag5 53.58(3) . .
O5 Ag7 Ag5 143.30(11) 4_665 .
O1 Ag7 Ag5 89.34(9) 4_665 .
Ag4 Ag7 Ag5 58.258(14) . .
S3 Ag7 Ag8 47.44(4) . .
S5 Ag7 Ag8 142.58(4) . .
O5 Ag7 Ag8 67.32(10) 4_665 .
O1 Ag7 Ag8 71.66(9) 4_665 .
Ag4 Ag7 Ag8 95.870(16) . .
Ag5 Ag7 Ag8 148.791(19) . .
O9 Ag8 S3 113.23(12) 4_665 .
O9 Ag8 S1 104.08(12) 4_665 .
S3 Ag8 S1 142.54(5) . .
O9 Ag8 Ag2 116.15(12) 4_665 .
S3 Ag8 Ag2 108.01(4) . .
S1 Ag8 Ag2 54.93(3) . .
O9 Ag8 Ag3 140.24(11) 4_665 .
S3 Ag8 Ag3 49.07(4) . .
S1 Ag8 Ag3 102.30(3) . .
Ag2 Ag8 Ag3 59.317(14) . .
O9 Ag8 Ag7 113.58(12) 4_665 .
S3 Ag8 Ag7 46.74(4) . .
S1 Ag8 Ag7 114.69(4) . .
Ag2 Ag8 Ag7 130.187(18) . .
Ag3 Ag8 Ag7 80.712(15) . .
S1 Ag9 S1 179.96(7) 4_665 .
S1 Ag9 Ag1 128.13(3) 4_665 .
S1 Ag9 Ag1 51.85(3) . .
S1 Ag9 Ag1 51.85(3) 4_665 4_665
S1 Ag9 Ag1 128.13(3) . 4_665
Ag1 Ag9 Ag1 145.41(3) . 4_665
S4 Ag10 S4 174.11(7) . 4_665
S4 Ag10 Ag11 47.52(3) . .
S4 Ag10 Ag11 130.54(3) 4_665 .
S4 Ag10 Ag11 130.54(3) . 4_665
S4 Ag10 Ag11 47.52(3) 4_665 4_665
Ag11 Ag10 Ag11 151.45(3) . 4_665
S4 Ag11 O4 109.72(11) . 5_664
S4 Ag11 S2 157.60(5) . 4_665
O4 Ag11 S2 92.08(11) 5_664 4_665
S4 Ag11 Ag5 54.94(3) . .
O4 Ag11 Ag5 112.04(10) 5_664 .
S2 Ag11 Ag5 112.78(4) 4_665 .
S4 Ag11 Ag6 114.21(4) . .
O4 Ag11 Ag6 107.33(11) 5_664 .
S2 Ag11 Ag6 51.52(3) 4_665 .
Ag5 Ag11 Ag6 61.397(14) . .
S4 Ag11 Ag10 48.63(3) . .
O4 Ag11 Ag10 117.79(11) 5_664 .
S2 Ag11 Ag10 125.43(4) 4_665 .
Ag5 Ag11 Ag10 97.535(14) . .
Ag6 Ag11 Ag10 134.818(19) . .
C19 S1 Ag9 110.30(17) . .
C19 S1 Ag8 113.18(19) . .
Ag9 S1 Ag8 106.55(5) . .
C19 S1 Ag1 109.91(19) . .
Ag9 S1 Ag1 77.17(4) . .
Ag8 S1 Ag1 131.64(6) . .
C19 S1 Ag2 111.62(17) . .
Ag9 S1 Ag2 133.36(6) . .
Ag8 S1 Ag2 74.41(4) . .
Ag1 S1 Ag2 70.15(4) . .
C20 S2 Ag3 119.44(19) . .
C20 S2 Ag6 109.71(19) . 4_665
Ag3 S2 Ag6 127.97(6) . 4_665
C20 S2 Ag11 118.77(19) . 4_665
Ag3 S2 Ag11 93.22(5) . 4_665
Ag6 S2 Ag11 76.57(4) 4_665 4_665
C20 S2 Ag2 111.90(19) . .
Ag3 S2 Ag2 76.02(4) . .
Ag6 S2 Ag2 70.69(4) 4_665 .
Ag11 S2 Ag2 126.31(6) 4_665 .
C14 S3 Ag7 119.5(2) . .
C14 S3 Ag3 119.5(2) . .
Ag7 S3 Ag3 120.24(6) . .
C14 S3 Ag8 111.8(2) . .
Ag7 S3 Ag8 85.81(5) . .
Ag3 S3 Ag8 81.12(4) . .
C14 S3 Ag4 109.5(2) . .
Ag7 S3 Ag4 73.80(4) . .
Ag3 S3 Ag4 79.06(4) . .
Ag8 S3 Ag4 138.74(6) . .
C11 S4 Ag11 108.96(19) . .
C11 S4 Ag4 110.13(19) . .
Ag11 S4 Ag4 133.69(6) . .
C11 S4 Ag10 111.31(19) . .
Ag11 S4 Ag10 83.85(4) . .
Ag4 S4 Ag10 103.86(5) . .
C11 S4 Ag5 107.59(19) . .
Ag11 S4 Ag5 73.18(4) . .
Ag4 S4 Ag5 72.14(4) . .
Ag10 S4 Ag5 139.49(6) . .
C23 S5 Ag7 116.2(2) . .
C23 S5 Ag1 120.6(2) . 4_665
Ag7 S5 Ag1 89.41(5) . 4_665
C23 S5 Ag6 108.5(2) . .
Ag7 S5 Ag6 133.64(6) . .
Ag1 S5 Ag6 77.64(4) 4_665 .
C23 S5 Ag5 112.5(2) . .
Ag7 S5 Ag5 76.68(4) . .
Ag1 S5 Ag5 125.61(6) 4_665 .
Ag6 S5 Ag5 75.65(4) . .
O15 C1 N2 125.2(6) . .
O15 C1 H1 117.4 . .
N2 C1 H1 117.4 . .
N2 C2 H2A 109.5 . .
N2 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
N2 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N2 C3 H3A 109.5 . .
N2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
N2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C5 H5A 109.5 . .
N1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O12 C6 N1 125.1(7) . .
O12 C6 H6 117.5 . .
N1 C6 H6 117.5 . .
O13 C7 O14 131.2(6) . .
O13 C7 C8 113.8(6) . .
O14 C7 C8 114.9(6) . .
F1 C8 F2 103.2(8) . .
F1 C8 F3 110.2(7) . .
F2 C8 F3 103.1(6) . .
F1 C8 C7 112.5(6) . .
F2 C8 C7 110.8(6) . .
F3 C8 C7 116.0(6) . .
O10 C9 O11 133.2(6) . .
O10 C9 C10 113.8(6) . .
O11 C9 C10 112.9(6) . .
F4 C10 F6 107.4(6) . .
F4 C10 F5 107.2(6) . .
F6 C10 F5 107.2(5) . .
F4 C10 C9 115.4(6) . .
F6 C10 C9 111.1(6) . .
F5 C10 C9 108.2(6) . .
C12 C11 C13 112.7(5) . .
C12 C11 S4 110.0(4) . .
C13 C11 S4 108.3(4) . .
C12 C11 H11 108.6 . .
C13 C11 H11 108.6 . .
S4 C11 H11 108.6 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C15 C14 C16 114.8(7) . .
C15 C14 S3 108.2(4) . .
C16 C14 S3 109.1(4) . .
C15 C14 H14 108.2 . .
C16 C14 H14 108.2 . .
S3 C14 H14 108.2 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 H17A 109.5 . .
C19 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C19 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 H18A 109.5 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C19 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C18 C19 C17 111.2(5) . .
C18 C19 S1 109.4(4) . .
C17 C19 S1 109.7(4) . .
C18 C19 H19 108.8 . .
C17 C19 H19 108.8 . .
S1 C19 H19 108.8 . .
C21 C20 C22 112.8(5) . .
C21 C20 S2 110.6(4) . .
C22 C20 S2 110.3(4) . .
C21 C20 H20 107.7 . .
C22 C20 H20 107.7 . .
S2 C20 H20 107.7 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C25 C23 C24 113.6(5) . .
C25 C23 S5 109.7(4) . .
C24 C23 S5 110.3(4) . .
C25 C23 H23 107.7 . .
C24 C23 H23 107.7 . .
S5 C23 H23 107.7 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
O2 Cr1 O2 109.3(3) 4_665 .
O2 Cr1 O1 110.47(19) 4_665 4_665
O2 Cr1 O1 108.98(18) . 4_665
O2 Cr1 O1 108.98(18) 4_665 .
O2 Cr1 O1 110.47(19) . .
O1 Cr1 O1 108.6(3) 4_665 .
O4 Cr2 O5 109.8(2) . .
O4 Cr2 O3 111.5(2) . .
O5 Cr2 O3 110.3(2) . .
O4 Cr2 O6 108.1(2) . .
O5 Cr2 O6 109.1(2) . .
O3 Cr2 O6 107.9(2) . .
O7 Cr3 O9 111.3(3) . .
O7 Cr3 O8 110.8(2) . .
O9 Cr3 O8 109.6(2) . .
O7 Cr3 O6 108.3(2) . .
O9 Cr3 O6 108.5(2) . .
O8 Cr3 O6 108.4(2) . .
Cr1 O1 Ag1 128.64(19) . .
Cr1 O1 Ag7 137.7(2) . 4_665
Ag1 O1 Ag7 84.45(11) . 4_665
Cr1 O2 Ag3 134.1(2) . .
Cr2 O3 Ag1 130.0(2) . .
Cr2 O4 Ag11 124.0(2) . 3_655
Cr2 O5 Ag7 134.0(2) . 4_665
Cr3 O6 Cr2 122.1(2) . .
Cr3 O8 Ag4 125.5(2) . 6
Cr3 O9 Ag8 126.6(2) . 4_665
C9 O10 Ag6 118.8(4) . 4_665
C9 O11 Ag2 123.3(4) . .
C6 O12 Ag2 123.2(5) . .
C7 O13 Ag4 124.2(4) . .
C7 O14 Ag5 120.4(4) . .
C1 O15 Ag5 137.6(4) . .
C6 N1 C4 119.5(9) . .
C6 N1 C5 122.6(8) . .
C4 N1 C5 116.7(9) . .
C1 N2 C2 122.3(5) . .
C1 N2 C3 121.3(5) . .
C2 N2 C3 116.3(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S5 2.4549(14) 4_665
Ag1 S1 2.4885(14) .
Ag1 O3 2.490(4) .
Ag1 O1 2.531(4) .
Ag1 Ag2 2.9330(6) .
Ag1 Ag6 3.0798(6) 4_665
Ag1 Ag9 3.0854(4) .
Ag2 O12 2.374(5) .
Ag2 O11 2.390(4) .
Ag2 S2 2.5930(15) .
Ag2 S1 2.6122(14) .
Ag2 Ag6 2.9198(6) 4_665
Ag2 Ag8 3.0743(6) .
Ag2 Ag3 3.0841(6) .
Ag3 S2 2.4099(14) .
Ag3 S3 2.4139(15) .
Ag3 O2 2.480(4) .
Ag3 Ag8 3.1566(6) .
Ag3 Ag4 3.1626(6) .
Ag4 O13 2.379(4) .
Ag4 S4 2.4749(14) .
Ag4 O8 2.515(4) 2_554
Ag4 S3 2.5521(15) .
Ag4 Ag5 2.9568(6) .
Ag4 Ag7 2.9831(6) .
Ag5 O14 2.344(4) .
Ag5 S4 2.5461(14) .
Ag5 S5 2.5538(15) .
Ag5 O15 2.589(4) .
Ag5 Ag11 2.9774(6) .
Ag5 Ag6 3.0745(6) .
Ag5 Ag7 3.0883(6) .
Ag6 O10 2.324(4) 4_665
Ag6 S2 2.4500(14) 4_665
Ag6 S5 2.4579(14) .
Ag6 Ag2 2.9198(6) 4_665
Ag6 Ag11 3.0439(6) .
Ag6 Ag1 3.0798(6) 4_665
Ag7 S3 2.4128(15) .
Ag7 S5 2.4216(14) .
Ag7 O5 2.443(4) 4_665
Ag7 O1 2.573(4) 4_665
Ag7 Ag8 3.3043(6) .
Ag8 O9 2.379(4) 4_665
Ag8 S3 2.4405(15) .
Ag8 S1 2.4686(14) .
Ag9 S1 2.4584(13) 4_665
Ag9 S1 2.4584(13) .
Ag9 Ag1 3.0854(5) 4_665
Ag10 S4 2.4902(14) .
Ag10 S4 2.4902(14) 4_665
Ag10 Ag11 3.2991(5) .
Ag10 Ag11 3.2991(5) 4_665
Ag11 S4 2.4473(14) .
Ag11 O4 2.459(4) 5_664
Ag11 S2 2.4629(15) 4_665
S1 C19 1.854(5) .
S2 C20 1.852(6) .
S2 Ag6 2.4500(14) 4_665
S2 Ag11 2.4629(15) 4_665
S3 C14 1.843(5) .
S4 C11 1.858(6) .
S5 C23 1.841(5) .
S5 Ag1 2.4549(14) 4_665
C1 O15 1.239(6) .
C1 N2 1.320(7) .
C1 H1 0.9500 .
C2 N2 1.447(7) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 N2 1.450(8) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 N1 1.415(11) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 N1 1.618(14) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 O12 1.208(9) .
C6 N1 1.287(9) .
C6 H6 0.9500 .
C7 O13 1.231(7) .
C7 O14 1.239(7) .
C7 C8 1.547(9) .
C8 F1 1.263(8) .
C8 F2 1.293(9) .
C8 F3 1.297(8) .
C9 O10 1.198(8) .
C9 O11 1.279(8) .
C9 C10 1.563(9) .
C10 F4 1.312(8) .
C10 F6 1.358(8) .
C10 F5 1.359(8) .
C11 C12 1.497(8) .
C11 C13 1.508(9) .
C11 H11 1.0000 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.483(9) .
C14 C16 1.499(9) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C19 1.519(7) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.516(7) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19 1.0000 .
C20 C21 1.499(8) .
C20 C22 1.523(8) .
C20 H20 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C25 1.500(8) .
C23 C24 1.511(8) .
C23 H23 1.0000 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
Cr1 O2 1.647(4) 4_665
Cr1 O2 1.647(4) .
Cr1 O1 1.658(4) 4_665
Cr1 O1 1.658(4) .
Cr2 O4 1.613(4) .
Cr2 O5 1.615(4) .
Cr2 O3 1.625(4) .
Cr2 O6 1.786(4) .
Cr3 O7 1.602(4) .
Cr3 O9 1.618(4) .
Cr3 O8 1.624(4) .
Cr3 O6 1.779(4) .
O1 Ag7 2.573(4) 4_665
O4 Ag11 2.459(4) 3_655
O5 Ag7 2.443(4) 4_665
O8 Ag4 2.515(4) 6
O9 Ag8 2.379(4) 4_665
O10 Ag6 2.324(4) 4_665
