#------------------------------------------------------------------------------
#$Date: 2016-03-25 17:06:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180003 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/97/7029783.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_7029783
loop_
_publ_author_name
'Wang, Han'
'Wan, Chong-Qing'
'Mak, Thomas C W'
_publ_section_title
;
 High-nuclearity silver(i) cluster-based coordination polymers assembled
 with multidentate oligo-α-heteroarylsulfanyl ligands.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7254
_journal_page_last               7262
_journal_paper_doi               10.1039/c3dt53344a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C48 H44 Ag10 N24 O30 S13'
_chemical_formula_weight         2932.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 115.696(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6523(6)
_cell_length_b                   17.9655(9)
_cell_length_c                   21.6837(8)
_cell_measurement_temperature    173(2)
_cell_volume                     4090.4(3)
_computing_cell_refinement       SAINT(Bruker,2001)
_computing_data_collection       APEX2(Bruker,2003)
_computing_data_reduction        APEX2(Bruker,2003)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0781
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            58355
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.765
_exptl_absorpt_correction_T_max  0.755
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2836
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.730
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7199
_refine_ls_number_restraints     34
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0432
_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)+(0.0653P)²+13.0837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                6145
_reflns_number_total             7199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt53344a2.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;Adding full bibliography for
 ./tmp-cod-update-bibliographies-12899/cifs/7029783.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7029783
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.6807(6) 0.3193(4) 0.4123(3) 0.0441(14) Uani 1 1 d .
H1 H 0.6121 0.3494 0.4069 0.053 Uiso 1 1 calc R
C2 C 0.6619(6) 0.2437(4) 0.4020(3) 0.0483(15) Uani 1 1 d .
H2 H 0.5808 0.2244 0.3897 0.058 Uiso 1 1 calc R
C3 C 0.8708(5) 0.2285(3) 0.4279(2) 0.0329(11) Uani 1 1 d .
C4 C 0.8900(6) 0.3036(3) 0.4379(3) 0.0377(12) Uani 1 1 d .
H3 H 0.9712 0.3229 0.4506 0.045 Uiso 1 1 calc R
C5 C 0.8513(6) 0.2018(3) 0.6250(3) 0.0366(12) Uani 1 1 d .
C6 C 1.0382(5) 0.1243(3) 0.5112(2) 0.0298(10) Uani 1 1 d .
C7 C 1.1239(5) 0.0652(3) 0.5275(3) 0.0364(12) Uani 1 1 d .
H4 H 1.1555 0.0505 0.4967 0.044 Uiso 1 1 calc R
C8 C 1.1157(6) 0.0534(3) 0.6301(3) 0.0402(13) Uani 1 1 d .
H5 H 1.1398 0.0296 0.6719 0.048 Uiso 1 1 calc R
C9 C 1.0324(5) 0.1137(3) 0.6132(3) 0.0336(11) Uani 1 1 d .
C10 C 0.7716(7) 0.3167(4) 0.5927(3) 0.0482(15) Uani 1 1 d .
H10 H 0.7828 0.3677 0.5902 0.058 Uiso 1 1 calc R
C11 C 0.6513(6) 0.2880(4) 0.5619(3) 0.0480(15) Uani 1 1 d .
H11 H 0.5827 0.3200 0.5406 0.058 Uiso 1 1 calc R
C12 C 0.7316(6) 0.1717(3) 0.5925(3) 0.0452(14) Uani 1 1 d .
H12 H 0.7210 0.1204 0.5919 0.054 Uiso 1 1 calc R
C13 C 0.5872(6) 0.5564(4) 0.2272(3) 0.0484(15) Uani 1 1 d .
H13 H 0.6020 0.5607 0.1885 0.058 Uiso 1 1 calc R
C14 C 0.6858(6) 0.5351(3) 0.2885(3) 0.0424(13) Uani 1 1 d .
H14 H 0.7648 0.5243 0.2897 0.051 Uiso 1 1 calc R
C15 C 0.5565(6) 0.5463(3) 0.3421(3) 0.0435(14) Uani 1 1 d .
H15 H 0.5432 0.5436 0.3813 0.052 Uiso 1 1 calc R
C16 C 0.4578(5) 0.5679(3) 0.2802(3) 0.0349(12) Uani 1 1 d .
C17 C 0.2948(5) 0.6829(3) 0.2637(2) 0.0302(11) Uani 1 1 d .
C18 C 0.1744(5) 0.7143(3) 0.2350(3) 0.0348(12) Uani 1 1 d .
H18 H 0.1032 0.6838 0.2216 0.042 Uiso 1 1 calc R
C19 C 0.2639(6) 0.8293(3) 0.2463(3) 0.0416(13) Uani 1 1 d .
H19 H 0.2562 0.8806 0.2401 0.050 Uiso 1 1 calc R
C20 C 0.3836(5) 0.7969(3) 0.2759(3) 0.0329(11) Uani 1 1 d .
C21 C 0.6393(5) 0.7903(3) 0.3466(3) 0.0355(12) Uani 1 1 d .
C22 C 0.7021(6) 0.7575(3) 0.3126(3) 0.0402(13) Uani 1 1 d .
H22 H 0.6823 0.7715 0.2678 0.048 Uiso 1 1 calc R
C23 C 0.8155(5) 0.6875(3) 0.4073(3) 0.0391(12) Uani 1 1 d .
H23 H 0.8753 0.6507 0.4297 0.047 Uiso 1 1 calc R
C24 C 0.7537(6) 0.7222(3) 0.4413(3) 0.0404(13) Uani 1 1 d .
H24 H 0.7735 0.7085 0.4862 0.048 Uiso 1 1 calc R
Ag1 Ag 0.83158(5) 0.47863(3) 0.44304(2) 0.04843(15) Uani 1 1 d .
Ag2 Ag 0.71259(4) 0.07180(3) 0.38594(2) 0.04310(14) Uani 1 1 d .
Ag3 Ag -0.04967(6) 0.83769(4) 0.17596(3) 0.06943(19) Uani 1 1 d .
Ag4 Ag 0.42764(5) 0.16237(3) 0.52759(3) 0.05619(16) Uani 1 1 d .
Ag5 Ag 1.07249(5) 0.33291(3) 0.70224(3) 0.05635(16) Uani 1 1 d .
N1 N 0.7938(5) 0.3504(3) 0.4298(3) 0.0453(12) Uani 1 1 d .
N2 N 0.7562(5) 0.1975(3) 0.4092(2) 0.0400(11) Uani 1 1 d .
N3 N 0.6300(5) 0.2159(3) 0.5616(3) 0.0462(12) Uani 1 1 d .
N4 N 0.8737(5) 0.2741(3) 0.6264(2) 0.0428(11) Uani 1 1 d .
N5 N 0.4705(5) 0.5711(3) 0.2222(2) 0.0405(11) Uani 1 1 d .
N6 N 0.6713(5) 0.5294(3) 0.3452(3) 0.0467(12) Uani 1 1 d .
N7 N 0.9928(4) 0.1488(2) 0.5538(2) 0.0327(9) Uani 1 1 d .
N8 N 1.1608(5) 0.0298(3) 0.5868(2) 0.0379(11) Uani 1 1 d .
N9 N 0.4005(4) 0.7241(2) 0.2842(2) 0.0315(9) Uani 1 1 d .
N10 N 0.1592(4) 0.7871(3) 0.2264(2) 0.0387(11) Uani 1 1 d .
N11 N 0.6663(4) 0.7749(3) 0.4114(2) 0.0387(11) Uani 1 1 d .
N12 N 0.7915(4) 0.7055(3) 0.3433(2) 0.0386(10) Uani 1 1 d .
O1 O 1.0284(6) 0.5521(4) 0.6603(3) 0.092(2) Uani 1 1 d .
O2 O 1.0008(6) 0.4412(3) 0.5981(3) 0.0790(16) Uani 1 1 d .
O3 O 0.8255(6) 0.4966(3) 0.6073(4) 0.0865(19) Uani 1 1 d .
O4 O 0.9168(8) 0.5550(4) 0.5407(3) 0.098(2) Uani 1 1 d .
O5 O -0.1593(6) 0.7295(4) 0.1874(3) 0.096(2) Uani 1 1 d DU
O1W O 1.0030(5) 0.4274(3) 0.7543(3) 0.0643(13) Uani 1 1 d .
O3W O 1.3954(10) 1.0986(7) 0.9895(5) 0.155(4) Uani 1 1 d .
O5W O 1.3942(12) 0.9629(7) 1.0188(5) 0.171(4) Uani 1 1 d .
O6 O -0.2581(9) 0.7878(6) 0.0848(4) 0.150(4) Uani 1 1 d DU
O7 O -0.3692(6) 0.7827(4) 0.1505(4) 0.109(2) Uani 1 1 d DU
O8 O -0.3340(11) 0.6745(5) 0.0978(6) 0.232(7) Uani 1 1 d DU
O9 O 0.4253(10) -0.0189(5) 0.4135(5) 0.055(2) Uani 0.50 1 d P
O10 O 0.4985(9) 0.0430(4) 0.5232(4) 0.045(2) Uani 0.50 1 d P
O11 O 0.6394(9) -0.0355(5) 0.4988(5) 0.058(2) Uani 0.50 1 d P
O12 O 0.5788(5) 0.0829(2) 0.4414(2) 0.0558(12) Uani 0.50 1 d P
O6W O 0.5788(5) 0.0829(2) 0.4414(2) 0.0558(12) Uani 0.50 1 d P
S1 S 0.99624(15) 0.16944(8) 0.43160(7) 0.0405(3) Uani 1 1 d .
S2 S 0.98134(17) 0.14256(10) 0.67478(7) 0.0510(4) Uani 1 1 d .
S3 S 0.30402(14) 0.58541(8) 0.27526(8) 0.0410(3) Uani 1 1 d .
S4 S 0.51759(16) 0.85684(8) 0.30355(10) 0.0505(4) Uani 1 1 d .
S5 S 0.93990(15) 0.51131(9) 0.60042(8) 0.0440(3) Uani 1 1 d .
S6 S -0.2878(2) 0.73820(10) 0.13129(8) 0.0664(5) Uani 1 1 d DU
S7 S 0.5334(3) 0.01900(14) 0.46794(14) 0.0366(6) Uani 0.50 1 d P
H1WA H 0.9914 0.4671 0.7273 0.055 Uiso 1 1 d R
H1WB H 1.0724 0.4468 0.7882 0.055 Uiso 1 1 d R
O2W O 0.7420(8) 0.5763(3) 0.7007(3) 0.105(2) Uani 1 1 d .
H2WA H 0.7657 0.5620 0.6686 0.158 Uiso 1 1 d R
H2WB H 0.7236 0.6244 0.6909 0.158 Uiso 1 1 d R
O4W O 1.1957(11) 0.4565(5) 0.8783(6) 0.105(6) Uani 0.50 1 d P
H4WA H 1.2660 0.4778 0.9046 0.158 Uiso 0.50 1 d PR
H4WB H 1.2245 0.4089 0.8871 0.158 Uiso 0.50 1 d PR
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'
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
N1 C1 C2 122.0(6) . .
N1 C1 H1 119.0 . .
C2 C1 H1 119.0 . .
N2 C2 C1 122.0(6) . .
N2 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
N2 C3 C4 122.1(5) . .
N2 C3 S1 117.2(4) . .
C4 C3 S1 120.4(4) . .
N1 C4 C3 121.5(6) . .
N1 C4 H3 119.2 . .
C3 C4 H3 119.2 . .
N4 C5 C12 123.1(5) . .
N4 C5 S2 117.7(5) . .
C12 C5 S2 118.9(5) . .
N7 C6 C7 122.4(5) . .
N7 C6 S1 120.2(4) . .
C7 C6 S1 117.4(4) . .
N8 C7 C6 120.4(5) . .
N8 C7 H4 119.8 . .
C6 C7 H4 119.8 . .
N8 C8 C9 120.5(5) . .
N8 C8 H5 119.8 . .
C9 C8 H5 119.8 . .
N7 C9 C8 122.4(5) . .
N7 C9 S2 120.5(4) . .
C8 C9 S2 117.2(4) . .
N4 C10 C11 122.1(6) . .
N4 C10 H10 118.9 . .
C11 C10 H10 118.9 . .
N3 C11 C10 121.7(6) . .
N3 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
N3 C12 C5 120.3(6) . .
N3 C12 H12 119.9 . .
C5 C12 H12 119.9 . .
N5 C13 C14 121.5(6) . .
N5 C13 H13 119.2 . .
C14 C13 H13 119.2 . .
N6 C14 C13 122.0(6) . .
N6 C14 H14 119.0 . .
C13 C14 H14 119.0 . .
N6 C15 C16 120.0(5) . .
N6 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
N5 C16 C15 122.6(5) . .
N5 C16 S3 117.3(4) . .
C15 C16 S3 119.9(5) . .
N9 C17 C18 122.1(5) . .
N9 C17 S3 120.7(4) . .
C18 C17 S3 117.1(4) . .
N10 C18 C17 121.0(5) . .
N10 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
N10 C19 C20 120.4(5) . .
N10 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
N9 C20 C19 122.6(5) . .
N9 C20 S4 119.8(4) . .
C19 C20 S4 117.6(4) . .
N11 C21 C22 122.7(5) . .
N11 C21 S4 117.7(4) . .
C22 C21 S4 119.6(4) . .
N12 C22 C21 120.7(5) . .
N12 C22 H22 119.7 . .
C21 C22 H22 119.7 . .
N12 C23 C24 121.6(5) . .
N12 C23 H23 119.2 . .
C24 C23 H23 119.2 . .
N11 C24 C23 121.7(5) . .
N11 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
N6 Ag1 N1 103.93(18) . .
N6 Ag1 O4 116.9(2) . .
N1 Ag1 O4 131.99(19) . .
N8 Ag2 N2 132.27(18) 3_756 .
N8 Ag2 O12 115.91(17) 3_756 .
N2 Ag2 O12 86.40(16) . .
N8 Ag2 N5 117.15(17) 3_756 2_645
N2 Ag2 N5 103.68(17) . 2_645
O12 Ag2 N5 89.71(17) . 2_645
O1 Ag3 N10 90.3(2) 4_475 .
O1 Ag3 O5 172.3(2) 4_475 .
N10 Ag3 O5 97.3(2) . .
O1 Ag3 O6 120.2(2) 4_475 .
N10 Ag3 O6 131.8(2) . .
O5 Ag3 O6 54.7(2) . .
O10 Ag4 N11 137.0(2) . 3_666
O10 Ag4 N3 93.7(3) . .
N11 Ag4 N3 106.10(17) 3_666 .
O10 Ag4 O11 36.3(3) . 3_656
N11 Ag4 O11 114.1(3) 3_666 3_656
N3 Ag4 O11 130.0(3) . 3_656
O10 Ag4 O8 91.9(3) . 2_545
N11 Ag4 O8 119.3(4) 3_666 2_545
N3 Ag4 O8 102.4(3) . 2_545
O11 Ag4 O8 83.0(3) 3_656 2_545
N12 Ag5 O1W 149.23(18) 3_766 .
N12 Ag5 N4 102.17(17) 3_766 .
O1W Ag5 N4 102.26(18) . .
N12 Ag5 O5 102.4(2) 3_766 3_666
O1W Ag5 O5 86.8(2) . 3_666
N4 Ag5 O5 109.5(2) . 3_666
C1 N1 C4 116.2(5) . .
C1 N1 Ag1 124.0(4) . .
C4 N1 Ag1 119.7(4) . .
C2 N2 C3 116.2(5) . .
C2 N2 Ag2 119.3(4) . .
C3 N2 Ag2 124.5(4) . .
C11 N3 C12 117.2(6) . .
C11 N3 Ag4 124.4(4) . .
C12 N3 Ag4 117.6(4) . .
C5 N4 C10 115.5(5) . .
C5 N4 Ag5 124.4(4) . .
C10 N4 Ag5 118.9(4) . .
C16 N5 C13 116.1(5) . .
C16 N5 Ag2 120.7(4) . 2_655
C13 N5 Ag2 121.4(4) . 2_655
C14 N6 C15 117.6(5) . .
C14 N6 Ag1 120.4(4) . .
C15 N6 Ag1 121.5(4) . .
C9 N7 C6 116.3(4) . .
C7 N8 C8 118.0(5) . .
C7 N8 Ag2 122.7(4) . 3_756
C8 N8 Ag2 119.1(4) . 3_756
C20 N9 C17 116.1(5) . .
C18 N10 C19 117.8(5) . .
C18 N10 Ag3 119.4(4) . .
C19 N10 Ag3 122.8(4) . .
C21 N11 C24 116.3(5) . .
C21 N11 Ag4 122.9(4) . 3_666
C24 N11 Ag4 120.8(4) . 3_666
C23 N12 C22 117.0(5) . .
C23 N12 Ag5 120.1(4) . 3_766
C22 N12 Ag5 121.6(4) . 3_766
S5 O1 Ag3 113.4(3) . 4_676
S5 O4 Ag1 109.5(3) . .
S6 O5 Ag3 103.0(3) . .
S6 O5 Ag5 134.7(4) . 3_666
Ag3 O5 Ag5 117.6(2) . 3_666
Ag5 O1W H1WA 104.1 . .
Ag5 O1W H1WB 107.3 . .
H1WA O1W H1WB 93.1 . .
S6 O6 Ag3 96.2(4) . .
S6 O8 Ag4 123.9(8) . 2
O10 O9 S7 51.1(5) 3_656 .
S7 O10 O9 69.8(6) 3_656 3_656
S7 O10 O11 66.5(6) 3_656 3_656
O9 O10 O11 116.7(8) 3_656 3_656
S7 O10 S7 94.0(5) 3_656 .
O9 O10 S7 116.0(7) 3_656 .
O11 O10 S7 110.7(7) 3_656 .
S7 O10 Ag4 134.8(6) 3_656 .
O9 O10 Ag4 110.3(6) 3_656 .
O11 O10 Ag4 74.9(5) 3_656 .
S7 O10 Ag4 121.9(4) . .
O10 O11 S7 48.5(4) 3_656 .
O10 O11 Ag4 68.8(5) 3_656 3_656
S7 O11 Ag4 113.4(6) . 3_656
S7 O12 Ag2 124.0(3) . .
C6 S1 C3 101.0(2) . .
C9 S2 C5 101.2(2) . .
C17 S3 C16 100.5(2) . .
C20 S4 C21 98.9(2) . .
O3 S5 O4 112.1(5) . .
O3 S5 O1 109.4(4) . .
O4 S5 O1 108.2(4) . .
O3 S5 O2 109.6(4) . .
O4 S5 O2 110.2(4) . .
O1 S5 O2 107.4(4) . .
O8 S6 O7 118.3(7) . .
O8 S6 O5 112.6(5) . .
O7 S6 O5 112.5(4) . .
O8 S6 O6 107.5(9) . .
O7 S6 O6 103.9(5) . .
O5 S6 O6 99.9(5) . .
O10 S7 O9 59.1(6) 3_656 .
O10 S7 O12 163.1(4) 3_656 .
O9 S7 O12 112.0(5) . .
O10 S7 O10 86.0(5) 3_656 .
O9 S7 O10 110.1(6) . .
O12 S7 O10 110.9(4) . .
O10 S7 O11 64.9(6) 3_656 .
O9 S7 O11 108.2(6) . .
O12 S7 O11 108.6(5) . .
O10 S7 O11 107.0(5) . .
O10 S7 S7 48.4(4) 3_656 3_656
O9 S7 S7 86.7(4) . 3_656
O12 S7 S7 148.5(3) . 3_656
O10 S7 S7 37.7(3) . 3_656
O11 S7 S7 87.7(4) . 3_656
H2WA O2W H2WB 102.5 . .
H4WA O4W H4WB 96.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.326(8) .
C1 C2 1.378(9) .
C1 H1 0.9300 .
C2 N2 1.332(8) .
C2 H2 0.9300 .
C3 N2 1.337(7) .
C3 C4 1.370(8) .
C3 S1 1.780(5) .
C4 N1 1.349(8) .
C4 H3 0.9300 .
C5 N4 1.322(8) .
C5 C12 1.372(9) .
C5 S2 1.782(6) .
C6 N7 1.325(7) .
C6 C7 1.394(7) .
C6 S1 1.773(5) .
C7 N8 1.328(7) .
C7 H4 0.9300 .
C8 N8 1.329(7) .
C8 C9 1.392(8) .
C8 H5 0.9300 .
C9 N7 1.325(7) .
C9 S2 1.759(5) .
C10 N4 1.335(8) .
C10 C11 1.366(9) .
C10 H10 0.9300 .
C11 N3 1.317(8) .
C11 H11 0.9300 .
C12 N3 1.339(8) .
C12 H12 0.9300 .
C13 N5 1.343(8) .
C13 C14 1.382(9) .
C13 H13 0.9300 .
C14 N6 1.314(8) .
C14 H14 0.9300 .
C15 N6 1.345(8) .
C15 C16 1.391(8) .
C15 H15 0.9300 .
C16 N5 1.329(7) .
C16 S3 1.776(6) .
C17 N9 1.337(7) .
C17 C18 1.385(8) .
C17 S3 1.766(5) .
C18 N10 1.322(7) .
C18 H18 0.9300 .
C19 N10 1.338(8) .
C19 C20 1.385(8) .
C19 H19 0.9300 .
C20 N9 1.324(7) .
C20 S4 1.774(6) .
C21 N11 1.329(7) .
C21 C22 1.377(8) .
C21 S4 1.779(6) .
C22 N12 1.342(7) .
C22 H22 0.9300 .
C23 N12 1.330(7) .
C23 C24 1.384(8) .
C23 H23 0.9300 .
C24 N11 1.334(7) .
C24 H24 0.9300 .
Ag1 N6 2.321(5) .
Ag1 N1 2.341(5) .
Ag1 O4 2.352(6) .
Ag2 N8 2.259(4) 3_756
Ag2 N2 2.322(5) .
Ag2 O12 2.355(4) .
Ag2 N5 2.390(5) 2_645
Ag3 O1 2.266(6) 4_475
Ag3 N10 2.374(5) .
Ag3 O5 2.398(7) .
Ag3 O6 2.539(11) .
Ag4 O10 2.314(8) .
Ag4 N11 2.339(5) 3_666
Ag4 N3 2.350(5) .
Ag4 O11 2.397(10) 3_656
Ag4 O8 2.461(12) 2_545
Ag5 N12 2.307(5) 3_766
Ag5 O1W 2.367(5) .
Ag5 N4 2.425(5) .
Ag5 O5 2.430(6) 3_666
N5 Ag2 2.390(5) 2_655
N8 Ag2 2.259(4) 3_756
N11 Ag4 2.339(5) 3_666
N12 Ag5 2.307(5) 3_766
O1 S5 1.457(6) .
O1 Ag3 2.266(6) 4_676
O2 S5 1.457(5) .
O3 S5 1.429(6) .
O4 S5 1.437(6) .
O5 S6 1.472(6) .
O5 Ag5 2.430(6) 3_666
O1W H1WA 0.8961 .
O1W H1WB 0.8938 .
O6 S6 1.494(8) .
O7 S6 1.434(7) .
O8 S6 1.337(7) .
O8 Ag4 2.461(12) 2
O9 O10 1.342(13) 3_656
O9 S7 1.468(10) .
O10 S7 1.216(8) 3_656
O10 O9 1.342(13) 3_656
O10 O11 1.470(13) 3_656
O10 S7 1.488(8) .
O11 O10 1.470(13) 3_656
O11 S7 1.489(9) .
O11 Ag4 2.397(10) 3_656
O12 S7 1.481(5) .
S7 O10 1.216(8) 3_656
S7 S7 1.986(5) 3_656
O2W H2WA 0.8921 .
O2W H2WB 0.8939 .
O4W H4WA 0.8579 .
O4W H4WB 0.9071 .
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
N1 C1 C2 N2 0.2(10) . .
N2 C3 C4 N1 0.4(8) . .
S1 C3 C4 N1 174.3(4) . .
N7 C6 C7 N8 1.8(8) . .
S1 C6 C7 N8 178.9(4) . .
N8 C8 C9 N7 1.4(9) . .
N8 C8 C9 S2 -178.2(5) . .
N4 C10 C11 N3 -2.5(10) . .
N4 C5 C12 N3 -1.7(9) . .
S2 C5 C12 N3 171.9(4) . .
N5 C13 C14 N6 -1.3(10) . .
N6 C15 C16 N5 1.6(9) . .
N6 C15 C16 S3 176.6(4) . .
N9 C17 C18 N10 0.3(8) . .
S3 C17 C18 N10 178.1(4) . .
N10 C19 C20 N9 2.0(9) . .
N10 C19 C20 S4 -177.8(4) . .
N11 C21 C22 N12 2.6(9) . .
S4 C21 C22 N12 -177.9(4) . .
N12 C23 C24 N11 0.5(9) . .
C2 C1 N1 C4 -1.0(9) . .
C2 C1 N1 Ag1 177.0(5) . .
C3 C4 N1 C1 0.7(8) . .
C3 C4 N1 Ag1 -177.4(4) . .
N6 Ag1 N1 C1 -48.2(5) . .
O4 Ag1 N1 C1 100.0(5) . .
N6 Ag1 N1 C4 129.7(4) . .
O4 Ag1 N1 C4 -82.1(5) . .
C1 C2 N2 C3 0.9(9) . .
C1 C2 N2 Ag2 -177.3(5) . .
C4 C3 N2 C2 -1.2(8) . .
S1 C3 N2 C2 -175.3(4) . .
C4 C3 N2 Ag2 176.8(4) . .
S1 C3 N2 Ag2 2.7(6) . .
N8 Ag2 N2 C2 -163.2(4) 3_756 .
O12 Ag2 N2 C2 -40.9(5) . .
N5 Ag2 N2 C2 48.0(5) 2_645 .
N8 Ag2 N2 C3 18.8(5) 3_756 .
O12 Ag2 N2 C3 141.2(4) . .
N5 Ag2 N2 C3 -130.0(4) 2_645 .
C10 C11 N3 C12 -0.5(9) . .
C10 C11 N3 Ag4 168.8(5) . .
C5 C12 N3 C11 2.5(9) . .
C5 C12 N3 Ag4 -167.6(4) . .
O10 Ag4 N3 C11 167.5(5) . .
N11 Ag4 N3 C11 -51.0(5) 3_666 .
O11 Ag4 N3 C11 166.0(5) 3_656 .
O8 Ag4 N3 C11 74.8(6) 2_545 .
O10 Ag4 N3 C12 -23.1(5) . .
N11 Ag4 N3 C12 118.3(4) 3_666 .
O11 Ag4 N3 C12 -24.6(6) 3_656 .
O8 Ag4 N3 C12 -115.9(5) 2_545 .
C12 C5 N4 C10 -1.2(8) . .
S2 C5 N4 C10 -174.9(4) . .
C12 C5 N4 Ag5 166.1(4) . .
S2 C5 N4 Ag5 -7.6(6) . .
C11 C10 N4 C5 3.3(9) . .
C11 C10 N4 Ag5 -164.7(5) . .
N12 Ag5 N4 C5 71.4(4) 3_766 .
O1W Ag5 N4 C5 -127.5(4) . .
O5 Ag5 N4 C5 -36.6(5) 3_666 .
N12 Ag5 N4 C10 -121.7(4) 3_766 .
O1W Ag5 N4 C10 39.4(5) . .
O5 Ag5 N4 C10 130.3(5) 3_666 .
C15 C16 N5 C13 -3.7(8) . .
S3 C16 N5 C13 -178.9(4) . .
C15 C16 N5 Ag2 161.2(4) . 2_655
S3 C16 N5 Ag2 -14.0(6) . 2_655
C14 C13 N5 C16 3.6(9) . .
C14 C13 N5 Ag2 -161.2(5) . 2_655
C13 C14 N6 C15 -1.0(9) . .
C13 C14 N6 Ag1 171.9(5) . .
C16 C15 N6 C14 0.8(9) . .
C16 C15 N6 Ag1 -172.0(4) . .
N1 Ag1 N6 C14 -85.4(5) . .
O4 Ag1 N6 C14 120.7(5) . .
N1 Ag1 N6 C15 87.3(5) . .
O4 Ag1 N6 C15 -66.7(5) . .
C8 C9 N7 C6 -0.9(8) . .
S2 C9 N7 C6 178.6(4) . .
C7 C6 N7 C9 -0.6(8) . .
S1 C6 N7 C9 -177.6(4) . .
C6 C7 N8 C8 -1.4(8) . .
C6 C7 N8 Ag2 175.2(4) . 3_756
C9 C8 N8 C7 -0.2(9) . .
C9 C8 N8 Ag2 -176.8(4) . 3_756
C19 C20 N9 C17 -1.5(7) . .
S4 C20 N9 C17 178.3(4) . .
C18 C17 N9 C20 0.4(7) . .
S3 C17 N9 C20 -177.3(4) . .
C17 C18 N10 C19 0.1(8) . .
C17 C18 N10 Ag3 179.4(4) . .
C20 C19 N10 C18 -1.2(8) . .
C20 C19 N10 Ag3 179.5(4) . .
O1 Ag3 N10 C18 -166.0(4) 4_475 .
O5 Ag3 N10 C18 14.9(4) . .
O6 Ag3 N10 C18 -33.2(5) . .
O1 Ag3 N10 C19 13.2(5) 4_475 .
O5 Ag3 N10 C19 -165.8(5) . .
O6 Ag3 N10 C19 146.0(4) . .
C22 C21 N11 C24 -3.6(8) . .
S4 C21 N11 C24 176.9(4) . .
C22 C21 N11 Ag4 174.7(4) . 3_666
S4 C21 N11 Ag4 -4.8(6) . 3_666
C23 C24 N11 C21 2.1(8) . .
C23 C24 N11 Ag4 -176.3(4) . 3_666
C24 C23 N12 C22 -1.7(8) . .
C24 C23 N12 Ag5 165.7(4) . 3_766
C21 C22 N12 C23 0.2(8) . .
C21 C22 N12 Ag5 -166.9(4) . 3_766
N6 Ag1 O4 S5 140.7(4) . .
N1 Ag1 O4 S5 -4.3(7) . .
O1 Ag3 O5 S6 33(2) 4_475 .
N10 Ag3 O5 S6 -153.5(3) . .
O6 Ag3 O5 S6 -16.4(3) . .
O1 Ag3 O5 Ag5 -125.7(16) 4_475 3_666
N10 Ag3 O5 Ag5 47.4(3) . 3_666
O6 Ag3 O5 Ag5 -175.5(5) . 3_666
O1 Ag3 O6 S6 -157.4(4) 4_475 .
N10 Ag3 O6 S6 80.6(4) . .
O5 Ag3 O6 S6 15.8(3) . .
N11 Ag4 O10 S7 31.4(11) 3_666 3_656
N3 Ag4 O10 S7 150.0(8) . 3_656
O11 Ag4 O10 S7 -32.0(8) 3_656 3_656
O8 Ag4 O10 S7 -107.5(9) 2_545 3_656
N11 Ag4 O10 O9 -49.9(8) 3_666 3_656
N3 Ag4 O10 O9 68.6(7) . 3_656
O11 Ag4 O10 O9 -113.3(8) 3_656 3_656
O8 Ag4 O10 O9 171.2(7) 2_545 3_656
N11 Ag4 O10 O11 63.4(6) 3_666 3_656
N3 Ag4 O10 O11 -178.1(5) . 3_656
O8 Ag4 O10 O11 -75.5(6) 2_545 3_656
N11 Ag4 O10 S7 168.7(4) 3_666 .
N3 Ag4 O10 S7 -72.8(6) . .
O11 Ag4 O10 S7 105.3(8) 3_656 .
O8 Ag4 O10 S7 29.8(7) 2_545 .
N8 Ag2 O12 S7 -26.0(4) 3_756 .
N2 Ag2 O12 S7 -161.9(4) . .
N5 Ag2 O12 S7 94.4(4) 2_645 .
N7 C6 S1 C3 -11.4(5) . .
C7 C6 S1 C3 171.4(4) . .
N2 C3 S1 C6 -79.1(4) . .
C4 C3 S1 C6 106.7(4) . .
N7 C9 S2 C5 14.3(5) . .
C8 C9 S2 C5 -166.1(5) . .
N4 C5 S2 C9 -95.9(4) . .
C12 C5 S2 C9 90.2(5) . .
N9 C17 S3 C16 -23.5(5) . .
C18 C17 S3 C16 158.7(4) . .
N5 C16 S3 C17 -74.4(4) . .
C15 C16 S3 C17 110.4(5) . .
N9 C20 S4 C21 -7.6(5) . .
C19 C20 S4 C21 172.2(4) . .
N11 C21 S4 C20 -85.4(5) . .
C22 C21 S4 C20 95.1(5) . .
Ag1 O4 S5 O3 -77.6(5) . .
Ag1 O4 S5 O1 161.7(4) . .
Ag1 O4 S5 O2 44.7(5) . .
Ag3 O1 S5 O3 -59.4(5) 4_676 .
Ag3 O1 S5 O4 62.9(6) 4_676 .
Ag3 O1 S5 O2 -178.2(4) 4_676 .
Ag4 O8 S6 O7 95.8(11) 2 .
Ag4 O8 S6 O5 -130.2(6) 2 .
Ag4 O8 S6 O6 -21.2(11) 2 .
Ag3 O5 S6 O8 137.0(9) . .
Ag5 O5 S6 O8 -69.3(10) 3_666 .
Ag3 O5 S6 O7 -86.2(5) . .
Ag5 O5 S6 O7 67.4(7) 3_666 .
Ag3 O5 S6 O6 23.3(5) . .
Ag5 O5 S6 O6 177.0(6) 3_666 .
Ag3 O6 S6 O8 -139.1(6) . .
Ag3 O6 S6 O7 94.8(4) . .
Ag3 O6 S6 O5 -21.5(4) . .
O10 O9 S7 O12 163.9(5) 3_656 .
O10 O9 S7 O10 -72.2(7) 3_656 .
O10 O9 S7 O11 44.3(7) 3_656 .
O10 O9 S7 S7 -42.2(5) 3_656 3_656
Ag2 O12 S7 O10 -25(2) . 3_656
Ag2 O12 S7 O9 -80.1(5) . .
Ag2 O12 S7 O10 156.5(5) . .
Ag2 O12 S7 O11 39.3(6) . .
Ag2 O12 S7 S7 157.1(5) . 3_656
S7 O10 S7 O10 0.0 3_656 3_656
O9 O10 S7 O10 69.5(7) 3_656 3_656
O11 O10 S7 O10 -66.4(6) 3_656 3_656
Ag4 O10 S7 O10 -151.1(10) . 3_656
S7 O10 S7 O9 55.0(7) 3_656 .
O9 O10 S7 O9 124.5(7) 3_656 .
O11 O10 S7 O9 -11.4(8) 3_656 .
Ag4 O10 S7 O9 -96.1(7) . .
S7 O10 S7 O12 179.5(5) 3_656 .
O9 O10 S7 O12 -111.0(7) 3_656 .
O11 O10 S7 O12 113.1(6) 3_656 .
Ag4 O10 S7 O12 28.4(7) . .
S7 O10 S7 O11 -62.3(7) 3_656 .
O9 O10 S7 O11 7.2(9) 3_656 .
O11 O10 S7 O11 -128.7(5) 3_656 .
Ag4 O10 S7 O11 146.6(6) . .
O9 O10 S7 S7 69.5(7) 3_656 3_656
O11 O10 S7 S7 -66.4(6) 3_656 3_656
Ag4 O10 S7 S7 -151.1(10) . 3_656
Ag4 O11 S7 O10 24.6(5) 3_656 3_656
O10 O11 S7 O9 -41.4(6) 3_656 .
Ag4 O11 S7 O9 -16.8(7) 3_656 .
O10 O11 S7 O12 -163.2(5) 3_656 .
Ag4 O11 S7 O12 -138.6(4) 3_656 .
O10 O11 S7 O10 77.1(7) 3_656 .
Ag4 O11 S7 O10 101.7(6) 3_656 .
O10 O11 S7 S7 44.3(4) 3_656 3_656
Ag4 O11 S7 S7 68.9(5) 3_656 3_656
