#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:10:33 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179560 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/29/4502932.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_4502932
loop_
_publ_author_name
'Wan, Chong-Qing'
'Wang, Zi-Jia'
'Wang, Guo'
'Liu, Hao'
'Deng, Yu-Heng'
'Jin, Qiong-Hua'
_publ_section_title
;
 Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with
 Intramolecular N···C Interaction and Its
 Supramolecular Silver(I) Complexes
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              376
_journal_paper_doi               10.1021/cg201184x
_journal_volume                  12
_journal_year                    2012
_chemical_formula_sum            'C24 H18 Ag3 Cl3 N12 O12 S3'
_chemical_formula_weight         1192.64
_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                69.201(2)
_cell_angle_beta                 70.396(2)
_cell_angle_gamma                79.961(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9403(4)
_cell_length_b                   12.0036(3)
_cell_length_c                   15.6419(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1970.44(10)
_computing_cell_refinement       'Bruker Smart ApexII'
_computing_data_collection       'Bruker Smart ApexII detector'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29368
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.910
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.608412
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Stick
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.076
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.0021(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         6876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0882
_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)+(0.0411P)²+32.1698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2015
_refine_ls_wR_factor_ref         0.2137
_reflns_number_gt                4969
_reflns_number_total             6876
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg201184x_si_001.cif
_cod_data_source_block           complex5
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4502932
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.47636(11) 0.08714(10) 0.23132(7) 0.0739(4) Uani 1 1 d . A .
Ag2 Ag 0.30480(10) 0.54348(9) 0.15387(7) 0.0637(4) Uani 1 1 d . . .
S1 S 0.3012(3) 0.2790(3) 0.3218(2) 0.0552(8) Uani 1 1 d . . .
S2 S 0.4855(3) 0.3404(3) 0.0612(2) 0.0502(7) Uani 1 1 d . . .
N4 N 0.4827(11) 0.3046(9) 0.3755(9) 0.069(3) Uani 1 1 d . . .
N3 N 0.4277(9) 0.4631(9) 0.2493(7) 0.053(2) Uani 1 1 d . . .
N2 N 0.2473(10) 0.1354(8) 0.5027(7) 0.058(3) Uani 1 1 d . . .
N1 N 0.3923(10) 0.0605(9) 0.3864(7) 0.059(3) Uani 1 1 d . . .
N5 N 0.2651(9) 0.4243(9) 0.0821(7) 0.055(3) Uani 1 1 d . . .
N6 N 0.3288(11) 0.2783(11) 0.0014(9) 0.069(3) Uani 1 1 d . . .
N7 N 0.5532(9) 0.1128(9) 0.0750(6) 0.052(2) Uani 1 1 d . . .
N8 N 0.6165(9) 0.2544(8) -0.0789(7) 0.055(3) Uani 1 1 d . . .
C6 C 0.5699(17) 0.3715(14) 0.3634(14) 0.095(6) Uani 1 1 d . . .
H6A H 0.6180 0.3412 0.4037 0.114 Uiso 1 1 calc R . .
C7 C 0.5920(17) 0.4801(15) 0.2962(15) 0.095(5) Uani 1 1 d . . .
H7A H 0.6543 0.5228 0.2889 0.114 Uiso 1 1 calc R . .
C8 C 0.5190(16) 0.5231(13) 0.2405(12) 0.085(5) Uani 1 1 d . . .
H8A H 0.5320 0.5976 0.1938 0.102 Uiso 1 1 calc R . .
C5 C 0.4166(11) 0.3561(10) 0.3170(8) 0.052(3) Uani 1 1 d . . .
C4 C 0.3133(10) 0.1428(10) 0.4146(8) 0.048(3) Uani 1 1 d . A .
C3 C 0.2589(14) 0.0325(12) 0.5689(10) 0.075(4) Uani 1 1 d . A .
H3A H 0.2106 0.0224 0.6314 0.089 Uiso 1 1 calc R . .
C2 C 0.3372(15) -0.0600(13) 0.5513(10) 0.081(5) Uani 1 1 d . . .
H2A H 0.3456 -0.1306 0.5996 0.098 Uiso 1 1 calc R A .
C1 C 0.4034(13) -0.0411(12) 0.4562(10) 0.069(4) Uani 1 1 d . A .
H1A H 0.4577 -0.1015 0.4403 0.083 Uiso 1 1 calc R . .
C9 C 0.1558(12) 0.4315(14) 0.0744(11) 0.072(4) Uani 1 1 d . . .
H9A H 0.0990 0.4872 0.0955 0.087 Uiso 1 1 calc R . .
C10 C 0.1251(17) 0.3585(17) 0.0359(13) 0.095(5) Uani 1 1 d . . .
H10A H 0.0473 0.3583 0.0358 0.115 Uiso 1 1 calc R . .
C11 C 0.2163(16) 0.2854(14) -0.0027(12) 0.083(5) Uani 1 1 d . . .
H11A H 0.1993 0.2390 -0.0329 0.100 Uiso 1 1 calc R . .
C12 C 0.3471(11) 0.3468(10) 0.0457(8) 0.047(3) Uani 1 1 d . . .
C13 C 0.5580(10) 0.2219(10) 0.0133(7) 0.043(3) Uani 1 1 d . A .
C14 C 0.6083(12) 0.0250(10) 0.0370(9) 0.059(3) Uani 1 1 d . A .
H14A H 0.6059 -0.0538 0.0772 0.071 Uiso 1 1 calc R . .
C15 C 0.6658(12) 0.0477(11) -0.0563(9) 0.060(3) Uani 1 1 d . . .
H15A H 0.7033 -0.0134 -0.0814 0.072 Uiso 1 1 calc R A .
C16 C 0.6675(14) 0.1634(13) -0.1129(9) 0.073(4) Uani 1 1 d . A .
H16A H 0.7055 0.1806 -0.1783 0.088 Uiso 1 1 calc R . .
N9 N -0.0257(11) 0.4543(10) 0.2980(7) 0.060(6) Uani 0.503(9) 1 d PG A 1
C17 C -0.0818(12) 0.3587(13) 0.3036(9) 0.085(11) Uani 0.503(9) 1 d PG A 1
H17A H -0.1161 0.3654 0.2565 0.102 Uiso 0.503(9) 1 calc PR A 1
C18 C -0.0867(12) 0.2530(11) 0.3795(11) 0.14(2) Uani 0.503(9) 1 d PG A 1
H18A H -0.1243 0.1891 0.3832 0.165 Uiso 0.503(9) 1 calc PR A 1
C19 C -0.0355(11) 0.2430(8) 0.4499(9) 0.062(8) Uani 0.503(9) 1 d PG A 1
H19A H -0.0388 0.1723 0.5007 0.075 Uiso 0.503(9) 1 calc PR A 1
N10 N 0.0206(8) 0.3386(8) 0.4443(6) 0.063(6) Uani 0.503(9) 1 d PG A 1
C20 C 0.0255(8) 0.4442(8) 0.3684(6) 0.068(11) Uani 0.503(9) 1 d PG A 1
Ag3 Ag 0.1177(13) 0.2955(13) 0.5422(8) 0.098(4) Uani 0.503(9) 1 d PG . 1
S3 S 0.0865(12) 0.5364(9) 0.3619(8) 0.093(6) Uani 0.503(9) 1 d PG A 1
N10' N 0.2138(16) 0.6530(12) 0.3537(11) 0.15(2) Uani 0.497(9) 1 d PG A 2
C19' C 0.2963(16) 0.6662(14) 0.3939(16) 0.083(12) Uani 0.497(9) 1 d PG A 2
H19B H 0.3345 0.7370 0.3699 0.099 Uiso 0.497(9) 1 calc PR A 2
C18' C 0.3218(15) 0.574(2) 0.4700(15) 0.33(6) Uani 0.497(9) 1 d PG A 2
H18B H 0.3770 0.5823 0.4969 0.395 Uiso 0.497(9) 1 calc PR A 2
C17' C 0.2648(15) 0.4677(16) 0.5059(10) 0.049(7) Uani 0.497(9) 1 d PG A 2
H17B H 0.2818 0.4057 0.5569 0.058 Uiso 0.497(9) 1 calc PR A 2
N9' N 0.1823(15) 0.4545(11) 0.4657(11) 0.101(11) Uani 0.497(9) 1 d PG A 2
C20' C 0.1568(14) 0.5472(15) 0.3896(11) 0.092(17) Uani 0.497(9) 1 d PG A 2
Ag3' Ag 0.1137(15) 0.2915(13) 0.5376(9) 0.119(5) Uani 0.497(9) 1 d P . 2
S3' S 0.071(3) 0.531(2) 0.355(2) 0.217(19) Uani 0.497(9) 1 d P A 2
C24 C -0.0598(13) 0.8319(12) 0.2248(9) 0.065(4) Uani 1 1 d . . .
H24A H -0.1181 0.8897 0.2407 0.079 Uiso 1 1 calc R . .
N12 N -0.0359(10) 0.7391(9) 0.2945(7) 0.056(3) Uani 1 1 d . . .
C21 C 0.0486(13) 0.6620(13) 0.2670(9) 0.067(4) Uani 1 1 d . . .
C22 C 0.0843(16) 0.7605(16) 0.1106(10) 0.088(5) Uani 1 1 d . . .
H22A H 0.1244 0.7674 0.0469 0.105 Uiso 1 1 calc R A .
N11 N 0.1133(13) 0.6680(12) 0.1787(8) 0.091(5) Uani 1 1 d . A .
C23 C -0.0025(13) 0.8460(13) 0.1312(10) 0.069(4) Uani 1 1 d . A .
H23A H -0.0213 0.9110 0.0829 0.083 Uiso 1 1 calc R . .
Cl2 Cl 0.7769(4) 0.2250(5) 0.1533(3) 0.0879(13) Uani 1 1 d . . .
O6 O 0.756(3) 0.3054(19) 0.0796(13) 0.278(18) Uani 1 1 d . . .
O5 O 0.826(2) 0.1294(18) 0.1180(15) 0.249(14) Uani 1 1 d . . .
O7 O 0.664(2) 0.208(2) 0.2178(15) 0.218(12) Uani 1 1 d . . .
O8 O 0.827(2) 0.261(5) 0.194(3) 0.42(3) Uani 1 1 d . . .
Cl1 Cl 0.6127(3) -0.2084(3) 0.2848(3) 0.0682(9) Uani 1 1 d . . .
O4 O 0.6460(11) -0.0981(10) 0.2822(11) 0.115(5) Uani 1 1 d . . .
O3 O 0.5154(14) -0.1803(14) 0.2475(11) 0.140(6) Uani 1 1 d . . .
O2 O 0.5718(13) -0.2863(12) 0.3794(8) 0.118(5) Uani 1 1 d . . .
O1 O 0.7039(13) -0.2573(13) 0.2256(12) 0.142(6) Uani 1 1 d . . .
Cl3 Cl 0.1446(5) 0.0191(5) 0.2980(4) 0.0973(14) Uani 1 1 d . . .
O9 O 0.062(3) -0.024(3) 0.283(3) 0.34(2) Uani 1 1 d . . .
O10 O 0.250(2) -0.049(3) 0.2849(19) 0.249(14) Uani 1 1 d . . .
O11 O 0.113(3) 0.0249(19) 0.3864(14) 0.269(16) Uani 1 1 d . . .
O12 O 0.187(3) 0.122(2) 0.2356(18) 0.291(16) 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'
S S 0.1246 0.1234 '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'
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
N1 Ag1 N7 177.5(4) . .
N3 Ag2 N5 117.6(4) . .
N3 Ag2 N8 96.7(4) . 2_665
N5 Ag2 N8 128.8(3) . 2_665
N3 Ag2 N11 130.8(4) . .
N5 Ag2 N11 100.4(4) . .
N8 Ag2 N11 80.4(4) 2_665 .
C5 S1 C4 101.1(6) . .
C12 S2 C13 99.1(5) . .
C5 N4 C6 113.9(12) . .
C5 N3 C8 114.4(12) . .
C5 N3 Ag2 124.4(9) . .
C8 N3 Ag2 121.2(10) . .
C4 N2 C3 115.4(10) . .
C4 N2 Ag3' 122.0(8) . .
C3 N2 Ag3' 122.6(9) . .
C4 N2 Ag3 123.0(8) . .
C3 N2 Ag3 121.6(9) . .
Ag3' N2 Ag3 2.9(6) . .
C4 N1 C1 115.2(10) . .
C4 N1 Ag1 119.8(8) . .
C1 N1 Ag1 124.4(8) . .
C9 N5 C12 117.4(12) . .
C9 N5 Ag2 119.0(9) . .
C12 N5 Ag2 123.6(8) . .
C12 N6 C11 115.3(12) . .
C13 N7 C14 115.5(9) . .
C13 N7 Ag1 119.3(7) . .
C14 N7 Ag1 124.8(8) . .
C13 N8 C16 114.7(10) . .
C13 N8 Ag2 117.6(7) . 2_665
C16 N8 Ag2 122.3(9) . 2_665
N4 C6 C7 124.0(16) . .
N4 C6 H6A 118.0 . .
C7 C6 H6A 118.0 . .
C8 C7 C6 116.7(18) . .
C8 C7 H7A 121.7 . .
C6 C7 H7A 121.7 . .
C7 C8 N3 123.1(15) . .
C7 C8 H8A 118.5 . .
N3 C8 H8A 118.5 . .
N4 C5 N3 127.9(13) . .
N4 C5 S1 119.5(9) . .
N3 C5 S1 112.6(10) . .
N2 C4 N1 127.3(11) . .
N2 C4 S1 117.7(8) . .
N1 C4 S1 115.0(8) . .
N2 C3 C2 124.1(13) . .
N2 C3 H3A 117.9 . .
C2 C3 H3A 117.9 . .
C3 C2 C1 115.1(13) . .
C3 C2 H2A 122.4 . .
C1 C2 H2A 122.4 . .
N1 C1 C2 122.8(12) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
N5 C9 C10 121.7(14) . .
N5 C9 H9A 119.2 . .
C10 C9 H9A 119.2 . .
C9 C10 C11 116.4(17) . .
C9 C10 H10A 121.8 . .
C11 C10 H10A 121.8 . .
N6 C11 C10 123.3(15) . .
N6 C11 H11A 118.4 . .
C10 C11 H11A 118.4 . .
N6 C12 N5 125.6(12) . .
N6 C12 S2 120.0(9) . .
N5 C12 S2 114.4(9) . .
N8 C13 N7 127.0(10) . .
N8 C13 S2 116.2(8) . .
N7 C13 S2 116.7(8) . .
C15 C14 N7 122.2(11) . .
C15 C14 H14A 118.9 . .
N7 C14 H14A 118.9 . .
C14 C15 C16 117.4(12) . .
C14 C15 H15A 121.3 . .
C16 C15 H15A 121.3 . .
N8 C16 C15 123.0(12) . .
N8 C16 H16A 118.5 . .
C15 C16 H16A 118.5 . .
C17 N9 C20 120.0 . .
N9 C17 C18 120.0 . .
N9 C17 H17A 120.0 . .
C18 C17 H17A 120.0 . .
C19 C18 C17 120.0 . .
C19 C18 H18A 120.0 . .
C17 C18 H18A 120.0 . .
C18 C19 N10 120.0 . .
C18 C19 H19A 120.0 . .
N10 C19 H19A 120.0 . .
C20 N10 C19 120.0 . .
C20 N10 Ag3 125.3 . .
C19 N10 Ag3 113.8 . .
S3 C20 N10 119.1 . .
S3 C20 N9 120.9 . .
N10 C20 N9 120.0 . .
N10 Ag3 N12 125.2(6) . 2_566
N10 Ag3 N2 100.9(5) . .
N12 Ag3 N2 113.6(6) 2_566 .
C20 S3 C21 104.0(7) . .
C19' N10' C20' 120.0 . .
N10' C19' C18' 120.0 . .
N10' C19' H19B 120.0 . .
C18' C19' H19B 120.0 . .
C19' C18' C17' 120.0 . .
C19' C18' H18B 120.0 . .
C17' C18' H18B 120.0 . .
N9' C17' C18' 120.0 . .
N9' C17' H17B 120.0 . .
C18' C17' H17B 120.0 . .
C20' N9' C17' 120.0 . .
C20' N9' Ag3' 130.5(11) . .
C17' N9' Ag3' 109.5(11) . .
S3' C20' N9' 117.5(16) . .
S3' C20' N10' 122.4(16) . .
N9' C20' N10' 120.0 . .
N9' Ag3' N2 112.9(9) . .
N9' Ag3' N12 111.2(9) . 2_566
N2 Ag3' N12 112.4(6) . 2_566
C20' S3' C21 109(2) . .
N12 C24 C23 122.4(12) . .
N12 C24 H24A 118.8 . .
C23 C24 H24A 118.8 . .
C21 N12 C24 115.5(11) . .
C21 N12 Ag3 117.1(9) . 2_566
C24 N12 Ag3 127.2(9) . 2_566
C21 N12 Ag3' 117.1(9) . 2_566
C24 N12 Ag3' 127.0(9) . 2_566
Ag3 N12 Ag3' 2.5(7) 2_566 2_566
N12 C21 N11 127.7(12) . .
N12 C21 S3' 116.7(14) . .
N11 C21 S3' 115.4(14) . .
N12 C21 S3 116.2(10) . .
N11 C21 S3 116.0(11) . .
S3' C21 S3 8.3(15) . .
N11 C22 C23 122.1(13) . .
N11 C22 H22A 119.0 . .
C23 C22 H22A 119.0 . .
C21 N11 C22 115.1(13) . .
C21 N11 Ag2 118.8(10) . .
C22 N11 Ag2 124.2(10) . .
C24 C23 C22 117.2(13) . .
C24 C23 H23A 121.4 . .
C22 C23 H23A 121.4 . .
O8 Cl2 O6 114(3) . .
O8 Cl2 O7 102.1(18) . .
O6 Cl2 O7 102.2(18) . .
O8 Cl2 O5 122(2) . .
O6 Cl2 O5 101.7(14) . .
O7 Cl2 O5 113.7(14) . .
O1 Cl1 O3 107.5(11) . .
O1 Cl1 O2 114.1(10) . .
O3 Cl1 O2 106.4(9) . .
O1 Cl1 O4 109.7(8) . .
O3 Cl1 O4 106.7(9) . .
O2 Cl1 O4 112.0(9) . .
O9 Cl3 O12 118(2) . .
O9 Cl3 O11 112(2) . .
O12 Cl3 O11 109.5(18) . .
O9 Cl3 O10 112(2) . .
O12 Cl3 O10 97(2) . .
O11 Cl3 O10 107.4(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.218(10) .
Ag1 N7 2.231(9) .
Ag2 N3 2.295(11) .
Ag2 N5 2.295(11) .
Ag2 N8 2.486(10) 2_665
Ag2 N11 2.498(13) .
S1 C5 1.758(14) .
S1 C4 1.783(12) .
S2 C12 1.734(13) .
S2 C13 1.796(11) .
N4 C5 1.323(16) .
N4 C6 1.348(19) .
N3 C5 1.337(15) .
N3 C8 1.35(2) .
N2 C4 1.317(14) .
N2 C3 1.321(15) .
N2 Ag3' 2.336(18) .
N2 Ag3 2.374(17) .
N1 C4 1.329(14) .
N1 C1 1.339(16) .
N5 C9 1.336(17) .
N5 C12 1.353(14) .
N6 C12 1.332(15) .
N6 C11 1.35(2) .
N7 C13 1.320(14) .
N7 C14 1.356(14) .
N8 C13 1.320(13) .
N8 C16 1.345(15) .
N8 Ag2 2.486(10) 2_665
C6 C7 1.35(2) .
C6 H6A 0.9300 .
C7 C8 1.35(2) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C3 C2 1.366(19) .
C3 H3A 0.9300 .
C2 C1 1.386(18) .
C2 H2A 0.9300 .
C1 H1A 0.9300 .
C9 C10 1.38(2) .
C9 H9A 0.9300 .
C10 C11 1.39(2) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C14 C15 1.336(16) .
C14 H14A 0.9300 .
C15 C16 1.356(18) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
N9 C17 1.3900 .
N9 C20 1.3900 .
C17 C18 1.3900 .
C17 H17A 0.9300 .
C18 C19 1.3900 .
C18 H18A 0.9300 .
C19 N10 1.3900 .
C19 H19A 0.9300 .
N10 C20 1.3900 .
N10 Ag3 2.0918 .
C20 S3 1.3839 .
Ag3 N12 2.316(15) 2_566
S3 C21 1.818(17) .
N10' C19' 1.3900 .
N10' C20' 1.3900 .
C19' C18' 1.3900 .
C19' H19B 0.9300 .
C18' C17' 1.3900 .
C18' H18B 0.9300 .
C17' N9' 1.3900 .
C17' H17B 0.9300 .
N9' C20' 1.3900 .
N9' Ag3' 2.03(2) .
C20' S3' 1.38(4) .
Ag3' N12 2.385(16) 2_566
S3' C21 1.73(2) .
C24 N12 1.322(16) .
C24 C23 1.355(18) .
C24 H24A 0.9300 .
N12 C21 1.313(16) .
N12 Ag3 2.32(2) 2_566
N12 Ag3' 2.385(16) 2_566
C21 N11 1.320(16) .
C22 N11 1.327(18) .
C22 C23 1.37(2) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
Cl2 O8 1.23(2) .
Cl2 O6 1.28(2) .
Cl2 O7 1.382(18) .
Cl2 O5 1.40(2) .
Cl1 O1 1.370(12) .
Cl1 O3 1.408(13) .
Cl1 O2 1.412(12) .
Cl1 O4 1.430(11) .
Cl3 O9 1.31(2) .
Cl3 O12 1.33(2) .
Cl3 O11 1.330(19) .
Cl3 O10 1.38(2) .
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
N5 Ag2 N3 C5 -47.8(10) . .
N8 Ag2 N3 C5 171.5(9) 2_665 .
N11 Ag2 N3 C5 88.3(10) . .
N5 Ag2 N3 C8 132.4(10) . .
N8 Ag2 N3 C8 -8.3(10) 2_665 .
N11 Ag2 N3 C8 -91.4(11) . .
N7 Ag1 N1 C4 -70(8) . .
N7 Ag1 N1 C1 101(8) . .
N3 Ag2 N5 C9 142.1(10) . .
N8 Ag2 N5 C9 -91.7(11) 2_665 .
N11 Ag2 N5 C9 -5.7(11) . .
N3 Ag2 N5 C12 -38.6(10) . .
N8 Ag2 N5 C12 87.6(10) 2_665 .
N11 Ag2 N5 C12 173.6(9) . .
N1 Ag1 N7 C13 95(8) . .
N1 Ag1 N7 C14 -93(8) . .
C5 N4 C6 C7 -2(3) . .
N4 C6 C7 C8 2(3) . .
C6 C7 C8 N3 0(3) . .
C5 N3 C8 C7 -1(2) . .
Ag2 N3 C8 C7 178.8(13) . .
C6 N4 C5 N3 1(2) . .
C6 N4 C5 S1 178.5(12) . .
C8 N3 C5 N4 0.8(18) . .
Ag2 N3 C5 N4 -179.0(10) . .
C8 N3 C5 S1 -177.2(9) . .
Ag2 N3 C5 S1 3.0(12) . .
C4 S1 C5 N4 0.4(11) . .
C4 S1 C5 N3 178.6(8) . .
C3 N2 C4 N1 -3(2) . .
Ag3' N2 C4 N1 179.6(11) . .
Ag3 N2 C4 N1 176.4(11) . .
C3 N2 C4 S1 179.6(11) . .
Ag3' N2 C4 S1 2.0(15) . .
Ag3 N2 C4 S1 -1.2(15) . .
C1 N1 C4 N2 1(2) . .
Ag1 N1 C4 N2 172.9(11) . .
C1 N1 C4 S1 178.7(11) . .
Ag1 N1 C4 S1 -9.5(14) . .
C5 S1 C4 N2 92.8(11) . .
C5 S1 C4 N1 -85.1(11) . .
C4 N2 C3 C2 3(2) . .
Ag3' N2 C3 C2 -179.1(14) . .
Ag3 N2 C3 C2 -175.9(14) . .
N2 C3 C2 C1 -2(3) . .
C4 N1 C1 C2 0(2) . .
Ag1 N1 C1 C2 -171.2(13) . .
C3 C2 C1 N1 0(3) . .
C12 N5 C9 C10 4(2) . .
Ag2 N5 C9 C10 -177.1(13) . .
N5 C9 C10 C11 -6(3) . .
C12 N6 C11 C10 0(2) . .
C9 C10 C11 N6 4(3) . .
C11 N6 C12 N5 -3(2) . .
C11 N6 C12 S2 176.8(11) . .
C9 N5 C12 N6 1.2(19) . .
Ag2 N5 C12 N6 -178.2(10) . .
C9 N5 C12 S2 -178.6(10) . .
Ag2 N5 C12 S2 2.1(12) . .
C13 S2 C12 N6 -4.4(11) . .
C13 S2 C12 N5 175.4(9) . .
C16 N8 C13 N7 6(2) . .
Ag2 N8 C13 N7 -148.8(10) 2_665 .
C16 N8 C13 S2 -178.5(10) . .
Ag2 N8 C13 S2 26.8(12) 2_665 .
C14 N7 C13 N8 -4.7(19) . .
Ag1 N7 C13 N8 168.5(10) . .
C14 N7 C13 S2 179.8(9) . .
Ag1 N7 C13 S2 -7.0(13) . .
C12 S2 C13 N8 91.4(10) . .
C12 S2 C13 N7 -92.6(10) . .
C13 N7 C14 C15 1(2) . .
Ag1 N7 C14 C15 -171.3(11) . .
N7 C14 C15 C16 0(2) . .
C13 N8 C16 C15 -4(2) . .
Ag2 N8 C16 C15 149.2(13) 2_665 .
C14 C15 C16 N8 2(2) . .
C20 N9 C17 C18 0.0 . .
N9 C17 C18 C19 0.0 . .
C17 C18 C19 N10 0.0 . .
C18 C19 N10 C20 0.0 . .
C18 C19 N10 Ag3 -169.5 . .
C19 N10 C20 S3 -177.1 . .
Ag3 N10 C20 S3 -8.9 . .
C19 N10 C20 N9 0.0 . .
Ag3 N10 C20 N9 168.2 . .
C17 N9 C20 S3 177.0 . .
C17 N9 C20 N10 0.0 . .
C20 N10 Ag3 N12 117.8(8) . 2_566
C19 N10 Ag3 N12 -73.4(8) . 2_566
C20 N10 Ag3 N2 -112.8(6) . .
C19 N10 Ag3 N2 56.0(6) . .
C4 N2 Ag3 N10 51.6(12) . .
C3 N2 Ag3 N10 -129.2(12) . .
Ag3' N2 Ag3 N10 -18(14) . .
C4 N2 Ag3 N12 -171.9(11) . 2_566
C3 N2 Ag3 N12 7.3(15) . 2_566
Ag3' N2 Ag3 N12 118(15) . 2_566
N10 C20 S3 C21 -170.5(8) . .
N9 C20 S3 C21 12.5(8) . .
C20' N10' C19' C18' 0.0 . .
N10' C19' C18' C17' 0.0 . .
C19' C18' C17' N9' 0.0 . .
C18' C17' N9' C20' 0.0 . .
C18' C17' N9' Ag3' -178.5(11) . .
C17' N9' C20' S3' -177(2) . .
Ag3' N9' C20' S3' 1(2) . .
C17' N9' C20' N10' 0.0 . .
Ag3' N9' C20' N10' 178.2(14) . .
C19' N10' C20' S3' 177(2) . .
C19' N10' C20' N9' 0.0 . .
C20' N9' Ag3' N2 107.8(11) . .
C17' N9' Ag3' N2 -73.9(10) . .
C20' N9' Ag3' N12 -124.7(10) . 2_566
C17' N9' Ag3' N12 53.6(11) . 2_566
C4 N2 Ag3' N9' -43.0(14) . .
C3 N2 Ag3' N9' 139.6(13) . .
Ag3 N2 Ag3' N9' 69(14) . .
C4 N2 Ag3' N12 -169.9(10) . 2_566
C3 N2 Ag3' N12 12.7(16) . 2_566
Ag3 N2 Ag3' N12 -58(14) . 2_566
N9' C20' S3' C21 175.9(11) . .
N10' C20' S3' C21 -1(3) . .
C23 C24 N12 C21 1(2) . .
C23 C24 N12 Ag3 176.9(14) . 2_566
C23 C24 N12 Ag3' 173.7(12) . 2_566
C24 N12 C21 N11 2(3) . .
Ag3 N12 C21 N11 -174.8(16) 2_566 .
Ag3' N12 C21 N11 -172.0(15) 2_566 .
C24 N12 C21 S3' -172.9(18) . .
Ag3 N12 C21 S3' 11(2) 2_566 .
Ag3' N12 C21 S3' 14(2) 2_566 .
C24 N12 C21 S3 177.8(11) . .
Ag3 N12 C21 S3 1.5(18) 2_566 .
Ag3' N12 C21 S3 4.4(17) 2_566 .
C20' S3' C21 N12 -92(2) . .
C20' S3' C21 N11 92(2) . .
C20' S3' C21 S3 -4(8) . .
C20 S3 C21 N12 99.1(13) . .
C20 S3 C21 N11 -84.2(15) . .
C20 S3 C21 S3' 4(9) . .
N12 C21 N11 C22 -3(3) . .
S3' C21 N11 C22 171(2) . .
S3 C21 N11 C22 -179.8(14) . .
N12 C21 N11 Ag2 161.2(13) . .
S3' C21 N11 Ag2 -24(2) . .
S3 C21 N11 Ag2 -15.1(18) . .
C23 C22 N11 C21 3(3) . .
C23 C22 N11 Ag2 -160.8(13) . .
N3 Ag2 N11 C21 -23.6(16) . .
N5 Ag2 N11 C21 117.9(13) . .
N8 Ag2 N11 C21 -114.2(14) 2_665 .
N3 Ag2 N11 C22 139.6(14) . .
N5 Ag2 N11 C22 -79.0(15) . .
N8 Ag2 N11 C22 49.0(15) 2_665 .
N12 C24 C23 C22 -1(2) . .
N11 C22 C23 C24 -1(3) . .
