#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:50:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178703 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/14/4081428.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_4081428
loop_
_publ_author_name
'Wen, Li-Li'
'Wang, Han'
'Wan, Chong-Qing'
'Mak, Thomas C. W.'
_publ_section_title
;
 Silver--Organic Frameworks Containing Ethynediide or Ethynide with
 Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5144
_journal_paper_doi               10.1021/om400706d
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C50 H30 Ag6 Cl4 F6 N6 O6 S3'
_chemical_formula_weight         1810.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.662(2)
_cell_angle_beta                 91.021(2)
_cell_angle_gamma                103.973(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6136(15)
_cell_length_b                   15.7657(19)
_cell_length_c                   15.9415(19)
_cell_measurement_temperature    296(2)
_cell_volume                     2859.9(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0844
_diffrn_reflns_av_sigmaI/netI    0.0699
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            44920
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    2.384
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    2.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.21
_refine_diff_density_max         2.041
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.290
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         10028
_refine_ls_number_restraints     353
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0733
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1566P)²+7.7777P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2078
_refine_ls_wR_factor_ref         0.2175
_reflns_number_gt                8605
_reflns_number_total             10028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400706d_si_002.cif
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4081428
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.62334(5) 0.04785(4) 0.56782(4) 0.02330(19) Uani 1 1 d .
Ag2 Ag 0.44068(5) 0.11101(4) 0.76236(4) 0.0255(2) Uani 1 1 d .
Ag3 Ag 0.63620(5) 0.21922(4) 0.71578(4) 0.0248(2) Uani 1 1 d .
Ag4 Ag 0.62788(5) 0.03373(4) 0.74548(4) 0.02403(19) Uani 1 1 d .
Ag5 Ag 0.44029(5) 0.13899(4) 0.57526(4) 0.0292(2) Uani 1 1 d .
Ag6 Ag 0.41596(6) -0.06245(5) 0.60924(4) 0.0346(2) Uani 1 1 d .
C1 C 0.6232(7) -0.0760(5) 0.5876(5) 0.0291(17) Uani 1 1 d U
C2 C 0.6612(7) -0.1367(5) 0.5987(5) 0.0273(16) Uani 1 1 d U
C3 C 0.7147(8) -0.2002(6) 0.6179(6) 0.038(2) Uani 1 1 d U
C4 C 0.8291(12) -0.1836(10) 0.6087(9) 0.069(3) Uani 1 1 d U
H4 H 0.8640 -0.1370 0.5880 0.083 Uiso 1 1 calc R
C5 C 0.8886(12) -0.2388(10) 0.6316(10) 0.075(4) Uani 1 1 d U
C6 C 0.8314(14) -0.3117(11) 0.6618(11) 0.084(4) Uani 1 1 d U
H6 H 0.8666 -0.3542 0.6700 0.101 Uiso 1 1 calc R
C7 C 0.7343(18) -0.3167(13) 0.6767(14) 0.117(6) Uani 1 1 d U
H7 H 0.7020 -0.3575 0.7049 0.141 Uiso 1 1 calc R
C8 C 0.6669(16) -0.2628(12) 0.6533(14) 0.104(5) Uani 1 1 d U
H8 H 0.5931 -0.2721 0.6628 0.125 Uiso 1 1 calc R
C9 C 0.6401(7) 0.1791(5) 0.5571(5) 0.0264(16) Uani 1 1 d U
C10 C 0.6591(7) 0.2414(6) 0.5267(5) 0.0311(18) Uani 1 1 d U
C11 C 0.6841(8) 0.3187(6) 0.4954(6) 0.040(2) Uani 1 1 d U
C12 C 0.6073(13) 0.3666(10) 0.4943(10) 0.076(4) Uani 1 1 d U
H12 H 0.5380 0.3490 0.5119 0.091 Uiso 1 1 calc R
C13 C 0.6367(16) 0.4438(12) 0.4655(13) 0.101(5) Uani 1 1 d U
H13 H 0.5882 0.4808 0.4700 0.121 Uiso 1 1 calc R
C14 C 0.7276(15) 0.4644(12) 0.4336(12) 0.094(5) Uani 1 1 d U
H14 H 0.7404 0.5121 0.4105 0.113 Uiso 1 1 calc R
C15 C 0.8073(10) 0.4176(8) 0.4327(7) 0.056(3) Uani 1 1 d U
C16 C 0.7853(9) 0.3432(7) 0.4621(6) 0.046(2) Uani 1 1 d U
H16 H 0.8369 0.3095 0.4600 0.055 Uiso 1 1 calc R
C17 C 0.6045(6) 0.1751(6) 0.8386(5) 0.0263(16) Uani 1 1 d U
C18 C 0.6584(7) 0.2284(6) 0.9112(5) 0.0286(17) Uani 1 1 d U
C19 C 0.7256(6) 0.2897(5) 0.9933(5) 0.0241(16) Uani 1 1 d U
C20 C 0.8106(7) 0.2619(6) 1.0250(5) 0.0294(17) Uani 1 1 d U
H20 H 0.8222 0.2032 0.9943 0.035 Uiso 1 1 calc R
C21 C 0.8769(8) 0.3239(7) 1.1036(6) 0.039(2) Uani 1 1 d U
C22 C 0.8611(8) 0.4110(7) 1.1510(6) 0.044(2) Uani 1 1 d U
H22 H 0.9059 0.4510 1.2040 0.053 Uiso 1 1 calc R
C23 C 0.7789(8) 0.4374(7) 1.1191(7) 0.047(2) Uani 1 1 d U
H23 H 0.7674 0.4959 1.1505 0.057 Uiso 1 1 calc R
C24 C 0.7125(8) 0.3784(7) 1.0407(7) 0.042(2) Uani 1 1 d U
H24 H 0.6578 0.3984 1.0192 0.051 Uiso 1 1 calc R
C25 C 0.3172(6) 0.0436(6) 0.6386(5) 0.0274(17) Uani 1 1 d U
C26 C 0.2349(7) 0.0658(6) 0.6276(5) 0.0335(19) Uani 1 1 d U
C27 C 0.1369(7) 0.0948(7) 0.6186(6) 0.038(2) Uani 1 1 d U
C28 C 0.0335(8) 0.0351(8) 0.6155(6) 0.045(2) Uani 1 1 d U
H28 H 0.0277 -0.0243 0.6170 0.054 Uiso 1 1 calc R
C29 C -0.0616(8) 0.0653(8) 0.6100(6) 0.050(3) Uani 1 1 d U
H29 H -0.1302 0.0261 0.6090 0.061 Uiso 1 1 calc R
C30 C -0.0541(9) 0.1514(9) 0.6063(7) 0.054(3) Uani 1 1 d U
H30 H -0.1176 0.1701 0.6009 0.065 Uiso 1 1 calc R
C31 C 0.0472(8) 0.2108(8) 0.6104(7) 0.049(2) Uani 1 1 d U
C32 C 0.1442(8) 0.1829(8) 0.6158(6) 0.045(2) Uani 1 1 d U
H32 H 0.2124 0.2231 0.6176 0.054 Uiso 1 1 calc R
C33 C 0.4796(8) 0.3525(7) 0.7081(7) 0.043(2) Uani 1 1 d U
C34 C 0.4444(12) 0.4423(10) 0.7394(10) 0.072(4) Uani 1 1 d U
C35 C 0.8281(15) 0.4555(12) 0.8791(11) 0.094(5) Uani 1 1 d U
H35A H 0.7765 0.4068 0.8914 0.141 Uiso 1 1 calc R
H35B H 0.7906 0.4983 0.8700 0.141 Uiso 1 1 calc R
H35C H 0.8843 0.4888 0.9293 0.141 Uiso 1 1 calc R
C36 C 0.8270(12) 0.4547(9) 0.7168(10) 0.073(4) Uani 1 1 d U
H36A H 0.8504 0.4347 0.6576 0.109 Uiso 1 1 calc R
H36B H 0.8498 0.5221 0.7439 0.109 Uiso 1 1 calc R
H36C H 0.7484 0.4336 0.7123 0.109 Uiso 1 1 calc R
C37 C 0.8837(6) 0.1473(6) 0.8199(5) 0.0282(17) Uani 1 1 d U
H37 H 0.8573 0.1920 0.8069 0.034 Uiso 1 1 calc R
C38 C 0.9908(6) 0.1709(5) 0.8575(5) 0.0279(17) Uani 1 1 d U
C39 C 0.9697(7) 0.0234(6) 0.8552(5) 0.0268(16) Uani 1 1 d U
C40 C 0.8595(6) -0.0021(5) 0.8178(5) 0.0232(15) Uani 1 1 d U
H40 H 0.8163 -0.0631 0.8043 0.028 Uiso 1 1 calc R
C41 C 1.1567(7) -0.0202(6) 0.9023(6) 0.0323(18) Uani 1 1 d U
C42 C 1.3098(9) 0.0196(10) 0.9989(7) 0.058(3) Uani 1 1 d U
H42 H 1.3432 0.0246 1.0535 0.070 Uiso 1 1 calc R
C43 C 1.3748(8) 0.0468(8) 0.9382(6) 0.047(2) Uani 1 1 d U
H43 H 1.4503 0.0719 0.9539 0.056 Uiso 1 1 calc R
C44 C 1.2222(7) 0.0029(6) 0.8393(5) 0.0325(18) Uani 1 1 d U
H44 H 1.1888 -0.0062 0.7832 0.039 Uiso 1 1 calc R
C45 C 1.2046(7) 0.2933(6) 0.9045(6) 0.039(2) Uani 1 1 d U
C46 C 1.2522(7) 0.2321(7) 0.8458(6) 0.038(2) Uani 1 1 d U
H46 H 1.2090 0.1840 0.7959 0.046 Uiso 1 1 calc R
C47 C 1.4162(11) 0.3122(11) 0.9240(10) 0.089(4) Uani 1 1 d U
H47 H 1.4909 0.3189 0.9355 0.107 Uiso 1 1 calc R
C48 C 1.3727(12) 0.3785(11) 0.9767(11) 0.095(5) Uani 1 1 d U
H48 H 1.4188 0.4335 1.0183 0.114 Uiso 1 1 calc R
C49 C 0.4536(10) -0.1401(7) 0.7645(6) 0.048(2) Uani 1 1 d U
C50 C 0.4114(16) -0.2074(12) 0.8117(10) 0.091(4) Uani 1 1 d U
Cl1 Cl 1.0362(4) -0.2044(4) 0.6336(4) 0.1218(17) Uani 1 1 d .
Cl2 Cl 0.9304(4) 0.4466(3) 0.3908(3) 0.1009(14) Uani 1 1 d .
Cl3 Cl 0.9841(3) 0.2888(2) 1.1416(3) 0.0812(11) Uani 1 1 d .
Cl4 Cl 0.0585(3) 0.3236(3) 0.6096(3) 0.0737(9) Uani 1 1 d .
F1 F 0.4583(10) 0.4862(7) 0.8263(7) 0.122(4) Uani 1 1 d U
F2 F 0.4999(16) 0.5024(10) 0.7079(13) 0.183(6) Uani 1 1 d U
F3 F 0.3474(10) 0.4390(8) 0.7124(7) 0.130(4) Uani 1 1 d U
F4 F 0.4239(10) -0.1755(8) 0.8975(6) 0.118(3) Uani 1 1 d U
F5 F 0.4326(17) -0.2832(11) 0.7799(12) 0.185(6) Uani 1 1 d U
F6 F 0.3039(13) -0.2464(12) 0.7935(10) 0.175(5) Uani 1 1 d U
N1 N 0.8165(5) 0.0615(5) 0.8016(4) 0.0259(14) Uani 1 1 d .
N2 N 1.0361(5) 0.1093(5) 0.8751(4) 0.0287(15) Uani 1 1 d .
N3 N 1.3300(6) 0.0371(6) 0.8574(5) 0.0364(17) Uani 1 1 d .
N4 N 1.2001(7) -0.0135(7) 0.9805(5) 0.050(2) Uani 1 1 d .
N5 N 1.3596(6) 0.2385(6) 0.8575(6) 0.047(2) Uani 1 1 d U
N6 N 1.2607(8) 0.3673(8) 0.9708(8) 0.079(3) Uani 1 1 d U
O1 O 0.5631(6) 0.3529(5) 0.7490(5) 0.0469(16) Uani 1 1 d .
O2 O 0.4176(5) 0.2890(5) 0.6420(5) 0.0457(16) Uani 1 1 d .
O3 O 0.8244(5) 0.3045(4) 0.7553(5) 0.0488(18) Uani 1 1 d .
O4 O 0.3953(6) -0.1524(5) 0.6964(4) 0.0505(18) Uani 1 1 d .
O5 O 0.5425(6) -0.0827(5) 0.8015(4) 0.0461(16) Uani 1 1 d .
O6 O 0.7092(12) 0.6965(10) 0.8224(9) 0.118(4) Uani 1 1 d U
S3 S 0.8866(2) 0.40662(16) 0.78399(17) 0.0425(6) Uani 1 1 d .
S1 S 1.01244(18) -0.06632(17) 0.87704(18) 0.0415(6) Uani 1 1 d .
S2 S 1.06391(19) 0.29089(16) 0.8880(2) 0.0493(7) 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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
C1 Ag1 C9 173.7(3) . .
C1 Ag1 Ag3 121.7(2) . .
C9 Ag1 Ag3 55.0(2) . .
C1 Ag1 Ag4 56.8(2) . .
C9 Ag1 Ag4 119.8(2) . .
Ag3 Ag1 Ag4 64.93(2) . .
C1 Ag1 Ag5 56.0(2) . 2_656
C9 Ag1 Ag5 128.6(2) . 2_656
Ag3 Ag1 Ag5 167.29(3) . 2_656
Ag4 Ag1 Ag5 110.87(3) . 2_656
C1 Ag1 Ag6 125.1(2) . 2_656
C9 Ag1 Ag6 59.2(2) . 2_656
Ag3 Ag1 Ag6 112.81(3) . 2_656
Ag4 Ag1 Ag6 171.42(3) . 2_656
Ag5 Ag1 Ag6 69.42(2) 2_656 2_656
C1 Ag1 Ag5 129.0(2) . .
C9 Ag1 Ag5 55.5(2) . .
Ag3 Ag1 Ag5 61.83(2) . .
Ag4 Ag1 Ag5 100.39(2) . .
Ag5 Ag1 Ag5 108.87(2) 2_656 .
Ag6 Ag1 Ag5 71.84(2) 2_656 .
C1 Ag1 Ag6 60.9(2) . .
C9 Ag1 Ag6 123.5(2) . .
Ag3 Ag1 Ag6 95.80(2) . .
Ag4 Ag1 Ag6 63.43(2) . .
Ag5 Ag1 Ag6 72.02(2) 2_656 .
Ag6 Ag1 Ag6 109.41(2) 2_656 .
Ag5 Ag1 Ag6 68.14(2) . .
C17 Ag2 C25 156.3(3) . .
C17 Ag2 N3 104.6(3) . 1_455
C25 Ag2 N3 96.4(3) . 1_455
C17 Ag2 N5 94.5(3) . 1_455
C25 Ag2 N5 100.9(3) . 1_455
N3 Ag2 N5 77.1(3) 1_455 1_455
C17 Ag2 Ag4 51.5(2) . .
C25 Ag2 Ag4 113.4(2) . .
N3 Ag2 Ag4 102.63(17) 1_455 .
N5 Ag2 Ag4 145.34(18) 1_455 .
C17 Ag2 Ag6 116.1(2) . .
C25 Ag2 Ag6 49.8(2) . .
N3 Ag2 Ag6 95.44(19) 1_455 .
N5 Ag2 Ag6 149.37(18) 1_455 .
Ag4 Ag2 Ag6 65.12(2) . .
C17 Ag2 Ag3 51.5(2) . .
C25 Ag2 Ag3 107.2(2) . .
N3 Ag2 Ag3 156.04(17) 1_455 .
N5 Ag2 Ag3 101.5(2) 1_455 .
Ag4 Ag2 Ag3 64.72(2) . .
Ag6 Ag2 Ag3 96.88(2) . .
C17 Ag2 Ag5 110.4(2) . .
C25 Ag2 Ag5 48.8(2) . .
N3 Ag2 Ag5 144.89(17) 1_455 .
N5 Ag2 Ag5 102.3(2) 1_455 .
Ag4 Ag2 Ag5 97.01(2) . .
Ag6 Ag2 Ag5 66.94(2) . .
Ag3 Ag2 Ag5 59.061(19) . .
C17 Ag3 O3 100.2(3) . .
C17 Ag3 C9 150.4(3) . .
O3 Ag3 C9 95.4(3) . .
C17 Ag3 O1 103.6(3) . .
O3 Ag3 O1 96.7(2) . .
C9 Ag3 O1 99.3(3) . .
C17 Ag3 Ag1 104.8(2) . .
O3 Ag3 Ag1 107.85(18) . .
C9 Ag3 Ag1 46.05(18) . .
O1 Ag3 Ag1 138.05(17) . .
C17 Ag3 Ag2 47.97(19) . .
O3 Ag3 Ag2 148.20(19) . .
C9 Ag3 Ag2 113.28(19) . .
O1 Ag3 Ag2 92.05(18) . .
Ag1 Ag3 Ag2 84.70(2) . .
C17 Ag3 Ag5 112.6(2) . .
O3 Ag3 Ag5 146.99(19) . .
C9 Ag3 Ag5 53.66(19) . .
O1 Ag3 Ag5 79.67(16) . .
Ag1 Ag3 Ag5 61.14(2) . .
Ag2 Ag3 Ag5 64.70(2) . .
C17 Ag3 Ag4 47.4(2) . .
O3 Ag3 Ag4 103.87(16) . .
C9 Ag3 Ag4 104.43(18) . .
O1 Ag3 Ag4 146.68(18) . .
Ag1 Ag3 Ag4 58.49(2) . .
Ag2 Ag3 Ag4 57.208(19) . .
Ag5 Ag3 Ag4 95.93(2) . .
C17 Ag4 O5 108.4(3) . .
C17 Ag4 N1 96.7(3) . .
O5 Ag4 N1 99.9(2) . .
C17 Ag4 C1 147.0(3) . .
O5 Ag4 C1 96.0(2) . .
N1 Ag4 C1 100.6(2) . .
C17 Ag4 Ag2 48.48(19) . .
O5 Ag4 Ag2 92.93(19) . .
N1 Ag4 Ag2 145.13(16) . .
C1 Ag4 Ag2 110.15(19) . .
C17 Ag4 Ag1 103.37(19) . .
O5 Ag4 Ag1 134.22(16) . .
N1 Ag4 Ag1 108.28(15) . .
C1 Ag4 Ag1 44.45(18) . .
Ag2 Ag4 Ag1 84.10(2) . .
C17 Ag4 Ag3 47.85(19) . .
O5 Ag4 Ag3 150.00(19) . .
N1 Ag4 Ag3 100.94(16) . .
C1 Ag4 Ag3 101.00(19) . .
Ag2 Ag4 Ag3 58.07(2) . .
Ag1 Ag4 Ag3 56.583(18) . .
C17 Ag4 Ag6 105.66(19) . .
O5 Ag4 Ag6 80.45(16) . .
N1 Ag4 Ag6 156.41(15) . .
C1 Ag4 Ag6 56.2(2) . .
Ag2 Ag4 Ag6 57.63(2) . .
Ag1 Ag4 Ag6 59.50(2) . .
Ag3 Ag4 Ag6 88.76(2) . .
O2 Ag5 C25 105.7(3) . .
O2 Ag5 C1 110.0(3) . 2_656
C25 Ag5 C1 106.1(3) . 2_656
O2 Ag5 C9 99.7(2) . .
C25 Ag5 C9 138.2(3) . .
C1 Ag5 C9 95.4(3) 2_656 .
O2 Ag5 Ag1 150.33(17) . 2_656
C25 Ag5 Ag1 75.34(19) . 2_656
C1 Ag5 Ag1 44.42(18) 2_656 2_656
C9 Ag5 Ag1 97.90(18) . 2_656
O2 Ag5 Ag1 136.44(16) . .
C25 Ag5 Ag1 96.8(2) . .
C1 Ag5 Ag1 98.52(19) 2_656 .
C9 Ag5 Ag1 43.88(17) . .
Ag1 Ag5 Ag1 71.13(2) 2_656 .
O2 Ag5 Ag3 82.04(16) . .
C25 Ag5 Ag3 100.85(19) . .
C1 Ag5 Ag3 145.7(2) 2_656 .
C9 Ag5 Ag3 50.40(18) . .
Ag1 Ag5 Ag3 127.37(3) 2_656 .
Ag1 Ag5 Ag3 57.02(2) . .
O2 Ag5 Ag2 91.66(18) . .
C25 Ag5 Ag2 45.14(18) . .
C1 Ag5 Ag2 149.19(19) 2_656 .
C9 Ag5 Ag2 102.48(18) . .
Ag1 Ag5 Ag2 107.59(3) 2_656 .
Ag1 Ag5 Ag2 78.33(2) . .
Ag3 Ag5 Ag2 56.236(19) . .
O2 Ag5 Ag6 142.30(19) . .
C25 Ag5 Ag6 42.0(2) . .
C1 Ag5 Ag6 99.88(18) 2_656 .
C9 Ag5 Ag6 99.86(17) . .
Ag1 Ag5 Ag6 55.66(2) 2_656 .
Ag1 Ag5 Ag6 56.11(2) . .
Ag3 Ag5 Ag6 86.10(2) . .
Ag2 Ag5 Ag6 52.679(18) . .
C25 Ag6 O4 116.2(3) . .
C25 Ag6 C9 108.9(3) . 2_656
O4 Ag6 C9 106.3(2) . 2_656
C25 Ag6 C1 140.8(3) . .
O4 Ag6 C1 91.0(3) . .
C9 Ag6 C1 87.7(2) 2_656 .
C25 Ag6 Ag2 49.9(2) . .
O4 Ag6 Ag2 93.49(17) . .
C9 Ag6 Ag2 156.81(17) 2_656 .
C1 Ag6 Ag2 104.22(17) . .
C25 Ag6 Ag1 76.8(2) . 2_656
O4 Ag6 Ag1 149.11(16) . 2_656
C9 Ag6 Ag1 43.75(17) 2_656 2_656
C1 Ag6 Ag1 94.31(17) . 2_656
Ag2 Ag6 Ag1 114.46(3) . 2_656
C25 Ag6 Ag1 99.7(2) . .
O4 Ag6 Ag1 128.97(19) . .
C9 Ag6 Ag1 93.84(18) 2_656 .
C1 Ag6 Ag1 42.56(17) . .
Ag2 Ag6 Ag1 82.51(2) . .
Ag1 Ag6 Ag1 70.59(2) 2_656 .
C25 Ag6 Ag4 105.8(2) . .
O4 Ag6 Ag4 78.09(17) . .
C9 Ag6 Ag4 137.92(18) 2_656 .
C1 Ag6 Ag4 50.21(17) . .
Ag2 Ag6 Ag4 57.24(2) . .
Ag1 Ag6 Ag4 127.44(3) 2_656 .
Ag1 Ag6 Ag4 57.07(2) . .
C25 Ag6 Ag5 45.4(2) . .
O4 Ag6 Ag5 153.66(18) . .
C9 Ag6 Ag5 98.67(17) 2_656 .
C1 Ag6 Ag5 98.31(17) . .
Ag2 Ag6 Ag5 60.39(2) . .
Ag1 Ag6 Ag5 54.920(19) 2_656 .
Ag1 Ag6 Ag5 55.749(19) . .
Ag4 Ag6 Ag5 89.08(2) . .
C2 C1 Ag1 157.8(7) . .
C2 C1 Ag5 104.3(6) . 2_656
Ag1 C1 Ag5 79.6(3) . 2_656
C2 C1 Ag4 102.2(6) . .
Ag1 C1 Ag4 78.7(2) . .
Ag5 C1 Ag4 152.4(4) 2_656 .
C2 C1 Ag6 125.3(6) . .
Ag1 C1 Ag6 76.5(2) . .
Ag5 C1 Ag6 84.8(3) 2_656 .
Ag4 C1 Ag6 73.6(2) . .
C1 C2 C3 174.2(9) . .
C8 C3 C4 119.9(12) . .
C8 C3 C2 123.9(12) . .
C4 C3 C2 115.6(9) . .
C5 C4 C3 119.1(12) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 119.0(14) . .
C4 C5 Cl1 117.1(11) . .
C6 C5 Cl1 123.5(11) . .
C7 C6 C5 118.7(14) . .
C7 C6 H6 120.7 . .
C5 C6 H6 120.7 . .
C6 C7 C8 124.7(16) . .
C6 C7 H7 117.6 . .
C8 C7 H7 117.6 . .
C3 C8 C7 117.8(17) . .
C3 C8 H8 121.1 . .
C7 C8 H8 121.1 . .
C10 C9 Ag1 160.8(7) . .
C10 C9 Ag3 119.3(6) . .
Ag1 C9 Ag3 78.9(2) . .
C10 C9 Ag5 108.5(6) . .
Ag1 C9 Ag5 80.6(3) . .
Ag3 C9 Ag5 75.9(2) . .
C10 C9 Ag6 86.5(5) . 2_656
Ag1 C9 Ag6 77.1(2) . 2_656
Ag3 C9 Ag6 152.1(3) . 2_656
Ag5 C9 Ag6 86.2(2) . 2_656
C9 C10 C11 177.0(9) . .
C12 C11 C16 119.2(10) . .
C12 C11 C10 119.9(10) . .
C16 C11 C10 120.9(9) . .
C11 C12 C13 117.9(14) . .
C11 C12 H12 121.1 . .
C13 C12 H12 121.1 . .
C14 C13 C12 122.4(17) . .
C14 C13 H13 118.8 . .
C12 C13 H13 118.8 . .
C13 C14 C15 121.6(14) . .
C13 C14 H14 119.2 . .
C15 C14 H14 119.2 . .
C14 C15 C16 118.9(12) . .
C14 C15 Cl2 121.3(10) . .
C16 C15 Cl2 119.7(10) . .
C15 C16 C11 119.8(11) . .
C15 C16 H16 120.1 . .
C11 C16 H16 120.1 . .
C18 C17 Ag2 146.2(6) . .
C18 C17 Ag4 127.6(6) . .
Ag2 C17 Ag4 80.0(3) . .
C18 C17 Ag3 117.0(6) . .
Ag2 C17 Ag3 80.5(2) . .
Ag4 C17 Ag3 84.7(2) . .
C17 C18 C19 177.2(8) . .
C24 C19 C20 118.7(8) . .
C24 C19 C18 121.7(8) . .
C20 C19 C18 119.5(7) . .
C21 C20 C19 118.4(8) . .
C21 C20 H20 120.8 . .
C19 C20 H20 120.8 . .
C22 C21 C20 122.1(9) . .
C22 C21 Cl3 120.0(7) . .
C20 C21 Cl3 117.9(7) . .
C23 C22 C21 118.8(9) . .
C23 C22 H22 120.6 . .
C21 C22 H22 120.6 . .
C22 C23 C24 120.7(9) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C19 121.2(9) . .
C23 C24 H24 119.4 . .
C19 C24 H24 119.4 . .
C26 C25 Ag6 151.5(7) . .
C26 C25 Ag2 126.1(6) . .
Ag6 C25 Ag2 80.2(3) . .
C26 C25 Ag5 99.2(6) . .
Ag6 C25 Ag5 92.6(3) . .
Ag2 C25 Ag5 86.1(3) . .
C25 C26 C27 177.5(9) . .
C32 C27 C28 119.6(9) . .
C32 C27 C26 120.4(9) . .
C28 C27 C26 120.0(9) . .
C27 C28 C29 119.7(10) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
C30 C29 C28 120.5(10) . .
C30 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
C29 C30 C31 120.1(9) . .
C29 C30 H30 120.0 . .
C31 C30 H30 120.0 . .
C30 C31 C32 120.9(11) . .
C30 C31 Cl4 120.6(8) . .
C32 C31 Cl4 118.4(9) . .
C27 C32 C31 119.2(10) . .
C27 C32 H32 120.4 . .
C31 C32 H32 120.4 . .
O1 C33 O2 130.5(9) . .
O1 C33 C34 116.5(10) . .
O2 C33 C34 112.9(10) . .
F3 C34 F2 99.5(14) . .
F3 C34 F1 106.9(12) . .
F2 C34 F1 104.9(15) . .
F3 C34 C33 118.0(12) . .
F2 C34 C33 111.6(13) . .
F1 C34 C33 114.3(12) . .
S3 C35 H35A 109.5 . .
S3 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
S3 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
S3 C36 H36A 109.5 . .
S3 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
S3 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N1 C37 C38 121.5(7) . .
N1 C37 H37 119.2 . .
C38 C37 H37 119.2 . .
N2 C38 C37 122.8(7) . .
N2 C38 S2 121.6(6) . .
C37 C38 S2 115.5(6) . .
N2 C39 C40 122.7(7) . .
N2 C39 S1 122.4(6) . .
C40 C39 S1 114.9(6) . .
N1 C40 C39 120.2(7) . .
N1 C40 H40 119.9 . .
C39 C40 H40 119.9 . .
N4 C41 C44 121.5(8) . .
N4 C41 S1 117.0(7) . .
C44 C41 S1 121.4(6) . .
N4 C42 C43 121.6(9) . .
N4 C42 H42 119.2 . .
C43 C42 H42 119.2 . .
N3 C43 C42 120.9(9) . .
N3 C43 H43 119.6 . .
C42 C43 H43 119.6 . .
N3 C44 C41 121.9(7) . .
N3 C44 H44 119.1 . .
C41 C44 H44 119.1 . .
N6 C45 C46 122.7(9) . .
N6 C45 S2 113.3(7) . .
C46 C45 S2 123.3(7) . .
N5 C46 C45 122.0(8) . .
N5 C46 H46 119.0 . .
C45 C46 H46 119.0 . .
N5 C47 C48 123.4(13) . .
N5 C47 H47 118.3 . .
C48 C47 H47 118.3 . .
C47 C48 N6 121.2(13) . .
C47 C48 H48 119.4 . .
N6 C48 H48 119.4 . .
O4 C49 O5 131.6(9) . .
O4 C49 C50 115.1(10) . .
O5 C49 C50 113.3(10) . .
F5 C50 F4 111.9(17) . .
F5 C50 F6 92.7(15) . .
F4 C50 F6 102.0(14) . .
F5 C50 C49 115.0(15) . .
F4 C50 C49 118.1(13) . .
F6 C50 C49 113.5(15) . .
C37 N1 C40 117.2(6) . .
C37 N1 Ag4 117.8(5) . .
C40 N1 Ag4 125.1(5) . .
C39 N2 C38 115.5(7) . .
C44 N3 C43 117.0(7) . .
C44 N3 Ag2 121.9(5) . 1_655
C43 N3 Ag2 120.0(6) . 1_655
C41 N4 C42 117.1(8) . .
C47 N5 C46 115.3(9) . .
C47 N5 Ag2 123.1(7) . 1_655
C46 N5 Ag2 121.4(6) . 1_655
C45 N6 C48 114.6(10) . .
C33 O1 Ag3 123.7(6) . .
C33 O2 Ag5 124.0(6) . .
S3 O3 Ag3 135.0(4) . .
C49 O4 Ag6 128.2(6) . .
C49 O5 Ag4 121.4(6) . .
O3 S3 C35 101.0(7) . .
O3 S3 C36 107.4(5) . .
C35 S3 C36 96.1(8) . .
C39 S1 C41 103.3(4) . .
C38 S2 C45 105.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C1 2.084(8) .
Ag1 C9 2.096(8) .
Ag1 Ag3 2.8577(8) .
Ag1 Ag4 2.9188(8) .
Ag1 Ag5 2.9284(9) 2_656
Ag1 Ag6 2.9546(9) 2_656
Ag1 Ag5 2.9836(9) .
Ag1 Ag6 2.9963(9) .
Ag2 C17 2.192(8) .
Ag2 C25 2.249(8) .
Ag2 N3 2.477(7) 1_455
Ag2 N5 2.507(8) 1_455
Ag2 Ag4 2.8831(8) .
Ag2 Ag6 2.8956(9) .
Ag2 Ag3 2.9106(8) .
Ag2 Ag5 3.1655(9) .
Ag3 C17 2.309(7) .
Ag3 O3 2.377(6) .
Ag3 C9 2.386(8) .
Ag3 O1 2.396(6) .
Ag3 Ag5 3.0030(9) .
Ag3 Ag4 3.1013(9) .
Ag4 C17 2.293(8) .
Ag4 O5 2.358(6) .
Ag4 N1 2.408(6) .
Ag4 C1 2.491(8) .
Ag4 Ag6 3.1101(9) .
Ag5 O2 2.317(6) .
Ag5 C25 2.386(8) .
Ag5 C1 2.468(8) 2_656
Ag5 C9 2.494(8) .
Ag5 Ag1 2.9284(9) 2_656
Ag5 Ag6 3.3501(10) .
Ag6 C25 2.244(8) .
Ag6 O4 2.287(7) .
Ag6 C9 2.603(8) 2_656
Ag6 C1 2.692(8) .
Ag6 Ag1 2.9546(9) 2_656
C1 C2 1.231(11) .
C1 Ag5 2.468(8) 2_656
C2 C3 1.444(11) .
C3 C8 1.333(18) .
C3 C4 1.422(17) .
C4 C5 1.409(17) .
C4 H4 0.9300 .
C5 C6 1.44(2) .
C5 Cl1 1.805(16) .
C6 C7 1.24(2) .
C6 H6 0.9300 .
C7 C8 1.46(2) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C10 1.217(12) .
C9 Ag6 2.603(8) 2_656
C10 C11 1.443(12) .
C11 C12 1.368(16) .
C11 C16 1.411(14) .
C12 C13 1.419(19) .
C12 H12 0.9300 .
C13 C14 1.28(2) .
C13 H13 0.9300 .
C14 C15 1.38(2) .
C14 H14 0.9300 .
C15 C16 1.381(14) .
C15 Cl2 1.724(12) .
C16 H16 0.9300 .
C17 C18 1.231(11) .
C18 C19 1.428(11) .
C19 C24 1.387(12) .
C19 C20 1.401(11) .
C20 C21 1.389(12) .
C20 H20 0.9300 .
C21 C22 1.379(14) .
C21 Cl3 1.753(10) .
C22 C23 1.358(15) .
C22 H22 0.9300 .
C23 C24 1.376(14) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.202(12) .
C26 C27 1.439(12) .
C27 C32 1.386(15) .
C27 C28 1.401(13) .
C28 C29 1.405(14) .
C28 H28 0.9300 .
C29 C30 1.360(17) .
C29 H29 0.9300 .
C30 C31 1.376(16) .
C30 H30 0.9300 .
C31 C32 1.407(14) .
C31 Cl4 1.754(12) .
C32 H32 0.9300 .
C33 O1 1.227(12) .
C33 O2 1.254(12) .
C33 C34 1.505(15) .
C34 F3 1.272(16) .
C34 F2 1.29(2) .
C34 F1 1.297(16) .
C35 S3 1.712(15) .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 S3 1.763(13) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 N1 1.339(11) .
C37 C38 1.377(11) .
C37 H37 0.9300 .
C38 N2 1.342(11) .
C38 S2 1.777(8) .
C39 N2 1.333(11) .
C39 C40 1.408(11) .
C39 S1 1.766(8) .
C40 N1 1.343(10) .
C40 H40 0.9300 .
C41 N4 1.310(11) .
C41 C44 1.402(12) .
C41 S1 1.769(9) .
C42 N4 1.343(14) .
C42 C43 1.395(14) .
C42 H42 0.9300 .
C43 N3 1.340(11) .
C43 H43 0.9300 .
C44 N3 1.321(11) .
C44 H44 0.9300 .
C45 N6 1.297(13) .
C45 C46 1.353(12) .
C45 S2 1.778(9) .
C46 N5 1.338(12) .
C46 H46 0.9300 .
C47 N5 1.298(15) .
C47 C48 1.332(19) .
C47 H47 0.9300 .
C48 N6 1.378(17) .
C48 H48 0.9300 .
C49 O4 1.229(12) .
C49 O5 1.238(12) .
C49 C50 1.512(16) .
C50 F5 1.22(2) .
C50 F4 1.270(16) .
C50 F6 1.33(2) .
N3 Ag2 2.477(7) 1_655
N5 Ag2 2.507(8) 1_655
O3 S3 1.508(6) .
