#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:15:54 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179683 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/05/7000511.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_7000511
loop_
_publ_author_name
'Deng, Zhao-Peng'
'Zhu, Zhi-Biao'
'Gao, Shan'
'Huo, Li-Hua'
'Zhao, Hui'
_publ_section_title
;
 The first continuous silver polyhedra framework containing four kinds
 of coordination spheres
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1290
_journal_paper_doi               10.1039/b819705a
_journal_year                    2009
_chemical_formula_moiety         'C15 H14 Ag5 N5 O19 S3'
_chemical_formula_sum            'C15 H14 Ag5 N5 O19 S3'
_chemical_formula_weight         1203.84
_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                110.76(3)
_cell_angle_beta                 105.50(3)
_cell_angle_gamma                106.24(3)
_cell_formula_units_Z            2
_cell_length_a                   11.622(2)
_cell_length_b                   11.817(2)
_cell_length_c                   12.037(2)
_cell_measurement_reflns_used    12201
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.03
_cell_volume                     1354.9(8)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'ORTEP-II (Johnson, 1976)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13373
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.881
_exptl_absorpt_correction_T_max  0.446
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.213
_refine_diff_density_min         -1.694
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6134
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0328
_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)+(0.0481P)²+3.9936P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                5572
_reflns_number_total             6134
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b819705a.txt
_cod_data_source_block           z
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7000511
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 0.66295(4) 0.03696(4) 0.14790(4) 0.03943(11) Uani 1 1 d . . .
Ag2 Ag 0.45629(4) 0.22039(4) 0.23673(4) 0.04494(12) Uani 1 1 d . . .
Ag3 Ag 0.64017(3) 0.57959(4) 0.50002(4) 0.03291(10) Uani 1 1 d . . .
Ag4 Ag 0.00143(4) 0.30960(4) 0.24249(4) 0.03882(11) Uani 1 1 d . . .
Ag5 Ag -0.18178(3) 0.39507(3) 0.40533(3) 0.02967(9) Uani 1 1 d . . .
S1 S 0.64316(12) 0.24982(11) 0.04545(11) 0.0320(2) Uani 1 1 d . . .
S2 S 0.59486(9) 0.32410(10) 0.56910(10) 0.02230(19) Uani 1 1 d . . .
S3 S 0.03351(10) 0.24113(10) 0.47788(10) 0.0237(2) Uani 1 1 d . . .
O1W O 0.2682(4) 0.0185(5) 0.1796(4) 0.0557(11) Uani 1 1 d D . .
H1W1 H 0.239(7) -0.045(5) 0.104(3) 0.083 Uiso 1 1 d D . .
H1W2 H 0.219(6) 0.060(7) 0.181(7) 0.083 Uiso 1 1 d D . .
O1 O 0.5153(4) 0.1672(4) 0.0313(4) 0.0464(9) Uani 1 1 d . . .
O2 O 0.7472(4) 0.2615(4) 0.1538(4) 0.0433(8) Uani 1 1 d . . .
O3 O 0.6621(6) 0.2090(4) -0.0737(4) 0.0635(13) Uani 1 1 d . . .
O4 O 0.6166(3) 0.4317(3) 0.2828(3) 0.0290(6) Uani 1 1 d . . .
O5 O 0.6926(3) 0.4174(3) 0.5523(4) 0.0343(7) Uani 1 1 d . . .
O6 O 0.4622(3) 0.2781(3) 0.4710(3) 0.0336(7) Uani 1 1 d . . .
O7 O 0.6026(4) 0.3718(4) 0.6995(3) 0.0394(8) Uani 1 1 d . . .
O8 O 0.6168(3) 0.1446(3) 0.3238(3) 0.0320(7) Uani 1 1 d . . .
O9 O -0.0894(3) 0.2198(3) 0.3819(3) 0.0317(7) Uani 1 1 d . . .
O10 O 0.1422(3) 0.3569(3) 0.5004(3) 0.0345(7) Uani 1 1 d . . .
O11 O 0.0606(4) 0.1247(4) 0.4503(4) 0.0404(8) Uani 1 1 d . . .
O12 O -0.0101(3) 0.4797(3) 0.6365(3) 0.0288(6) Uani 1 1 d . . .
O13 O 0.1364(4) 0.3357(4) 0.1057(4) 0.0443(9) Uani 1 1 d . . .
O14 O 0.2045(4) 0.2706(4) 0.2468(3) 0.0421(8) Uani 1 1 d . . .
O15 O 0.3115(4) 0.3014(4) 0.1302(4) 0.0442(9) Uani 1 1 d . . .
O16 O -0.1375(5) 0.0632(4) 0.0900(4) 0.0514(10) Uani 1 1 d . . .
O17 O -0.1858(4) -0.0819(4) 0.1590(4) 0.0467(9) Uani 1 1 d . . .
O18 O -0.0103(4) -0.0359(4) 0.1231(5) 0.0513(10) Uani 1 1 d . . .
N1 N 0.6715(4) 0.5896(4) 0.0410(4) 0.0373(9) Uani 1 1 d . . .
H1N H 0.6853 0.6246 -0.0085 0.045 Uiso 1 1 calc R . .
N2 N 0.6872(4) 0.0402(4) 0.6146(4) 0.0340(9) Uani 1 1 d . . .
H2N H 0.6993 0.0156 0.6744 0.041 Uiso 1 1 calc R . .
N3 N -0.0010(4) 0.2258(4) 0.7917(4) 0.0315(8) Uani 1 1 d . . .
H3N H 0.0042 0.1744 0.8267 0.038 Uiso 1 1 calc R . .
N4 N 0.2174(4) 0.3029(4) 0.1609(4) 0.0302(8) Uani 1 1 d . . .
N5 N -0.1107(4) -0.0185(4) 0.1238(4) 0.0356(9) Uani 1 1 d . . .
C1 C 0.6688(5) 0.4680(5) 0.0126(5) 0.0339(10) Uani 1 1 d . . .
H1 H 0.6807 0.4223 -0.0611 0.041 Uiso 1 1 calc R . .
C2 C 0.6488(4) 0.4105(4) 0.0900(4) 0.0251(8) Uani 1 1 d . . .
C3 C 0.6323(4) 0.4791(4) 0.2056(4) 0.0237(8) Uani 1 1 d . . .
C4 C 0.6349(4) 0.6077(5) 0.2286(5) 0.0328(9) Uani 1 1 d . . .
H4 H 0.6239 0.6576 0.3013 0.039 Uiso 1 1 calc R . .
C5 C 0.6529(5) 0.6576(5) 0.1464(5) 0.0382(11) Uani 1 1 d . . .
H5 H 0.6525 0.7405 0.1627 0.046 Uiso 1 1 calc R . .
C6 C 0.6524(4) 0.1431(4) 0.6303(4) 0.0278(8) Uani 1 1 d . . .
H6 H 0.6433 0.1874 0.7063 0.033 Uiso 1 1 calc R . .
C7 C 0.6303(4) 0.1825(4) 0.5354(4) 0.0216(7) Uani 1 1 d . . .
C8 C 0.6403(4) 0.1140(4) 0.4158(4) 0.0236(8) Uani 1 1 d . . .
C9 C 0.6819(5) 0.0093(5) 0.4098(5) 0.0340(10) Uani 1 1 d . . .
H9 H 0.6945 -0.0365 0.3366 0.041 Uiso 1 1 calc R . .
C10 C 0.7033(4) -0.0246(5) 0.5057(5) 0.0344(10) Uani 1 1 d . . .
H10 H 0.7295 -0.0936 0.4976 0.041 Uiso 1 1 calc R . .
C11 C 0.0179(4) 0.2010(4) 0.6818(4) 0.0271(8) Uani 1 1 d . . .
H11 H 0.0348 0.1275 0.6437 0.033 Uiso 1 1 calc R . .
C12 C 0.0128(4) 0.2823(4) 0.6251(4) 0.0222(7) Uani 1 1 d . . .
C13 C -0.0103(4) 0.3985(4) 0.6834(4) 0.0241(8) Uani 1 1 d . . .
C14 C -0.0342(5) 0.4152(5) 0.7971(4) 0.0331(9) Uani 1 1 d . . .
H14 H -0.0543 0.4857 0.8370 0.040 Uiso 1 1 calc R . .
C15 C -0.0281(5) 0.3307(5) 0.8483(4) 0.0351(10) Uani 1 1 d . . .
H15 H -0.0428 0.3449 0.9233 0.042 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
_geom_angle_publ_flag
O8 Ag1 O1 116.18(13) . 2_655 ?
O8 Ag1 O2 85.30(12) . . ?
O1 Ag1 O2 127.03(13) 2_655 . ?
O8 Ag1 O17 123.29(12) . 1_655 ?
O1 Ag1 O17 90.38(14) 2_655 1_655 ?
O2 Ag1 O17 118.60(12) . 1_655 ?
O8 Ag1 O16 137.70(13) . 1_655 ?
O1 Ag1 O16 105.96(14) 2_655 1_655 ?
O2 Ag1 O16 71.79(12) . 1_655 ?
O1 Ag1 O2 50.35(12) . . ?
O1 Ag1 O8 81.85(12) . . ?
O1 Ag1 O9 115.76(12) . 1_655 ?
O1 Ag1 O16 107.31(12) . 1_655 ?
O1 Ag1 O17 153.79(12) . 1_655 ?
O1 Ag1 O1 83.59(12) . 2_655 ?
O2 Ag1 O9 70.23(12) . 1_655 ?
O9 Ag1 O1 160.64(13) 1_655 2_655 ?
O9 Ag1 O16 68.79(14) 1_655 1_655 ?
O9 Ag1 O17 71.86(14) 1_655 1_655 ?
O8 Ag1 O9 70.13(12) . 1_655 ?
O17 Ag1 O16 50.04(12) 1_655 1_655 ?
O1 Ag2 O1W 105.91(15) . . ?
O1 Ag2 O4 75.33(13) . . ?
O1 Ag2 O6 164.36(12) . . ?
O1 Ag2 O8 87.87(13) . . ?
O1 Ag2 O15 84.60(15) . . ?
O4 Ag2 O8 95.50(12) . . ?
O4 Ag2 O15 79.75(12) . . ?
O4 Ag2 O6 99.50(12) . . ?
O8 Ag2 O6 77.84(11) . . ?
O8 Ag2 O15 171.90(11) . . ?
O4 Ag2 O1W 171.20(14) . . ?
O8 Ag2 O1W 93.26(14) . . ?
O15 Ag2 O1W 91.65(15) . . ?
O15 Ag2 O6 109.29(13) . . ?
O6 Ag2 O1W 81.51(13) . . ?
O6 Ag3 O5 147.47(12) 2_666 . ?
O6 Ag3 O10 122.65(12) 2_666 2_666 ?
O5 Ag3 O10 82.78(11) . 2_666 ?
O6 Ag3 O4 122.03(11) 2_666 . ?
O5 Ag3 O4 82.50(11) . . ?
O5 Ag3 O14 79.50(14) . 2_666 ?
O10 Ag3 O4 72.91(12) 2_666 . ?
O14 Ag3 O4 147.11(11) 2_666 . ?
O6 Ag3 O14 86.29(13) 2_666 2_666 ?
O10 Ag3 O14 77.69(13) 2_666 2_666 ?
O6 Ag3 Ag3 73.36(9) 2_666 2_666 ?
O5 Ag3 Ag3 81.49(8) . 2_666 ?
O10 Ag3 Ag3 163.83(8) 2_666 2_666 ?
O4 Ag3 Ag3 101.25(9) . 2_666 ?
O2 Ag4 O12 78.82(14) 1_455 2_566 ?
O2 Ag4 O13 121.43(15) 1_455 . ?
O12 Ag4 O14 122.58(12) 2_566 . ?
O12 Ag4 O16 148.15(13) 2_566 . ?
O14 Ag4 O16 89.24(14) . . ?
O12 Ag4 O9 91.00(11) 2_566 . ?
O14 Ag4 O9 108.87(11) . . ?
O16 Ag4 O9 75.67(12) . . ?
O12 Ag4 O13 107.58(12) 2_566 . ?
O14 Ag4 O13 49.88(11) . . ?
O16 Ag4 O13 93.75(14) . . ?
O2 Ag4 O14 157.61(15) 1_455 . ?
O2 Ag4 O16 69.82(15) 1_455 . ?
O9 Ag4 O2 74.44(13) . 1_455 ?
O9 Ag4 O13 157.11(11) . . ?
O10 Ag4 O9 52.17(11) . . ?
O14 Ag4 O10 72.85(11) . . ?
O10 Ag4 O13 116.88(12) . . ?
O10 Ag4 O16 111.60(12) . . ?
O12 Ag4 O10 79.95(11) 2_566 . ?
O2 Ag4 O10 121.49(12) 1_455 . ?
O2 Ag5 O12 146.95(12) 1_455 . ?
O2 Ag5 O10 117.72(12) 1_455 2_566 ?
O2 Ag5 O12 75.74(13) 1_455 2_566 ?
O2 Ag5 O5 133.85(13) 1_455 1_455 ?
O2 Ag5 O4 71.56(12) 1_455 1_455 ?
O2 Ag5 O8 74.23(12) 1_455 1_455 ?
O2 Ag5 O9 75.66(13) 1_455 . ?
O4 Ag5 O9 141.29(12) 1_455 . ?
O4 Ag5 O12 140.85(11) 1_455 . ?
O4 Ag5 O10 67.44(12) 1_455 2_566 ?
O4 Ag5 O12 104.59(12) 1_455 2_566 ?
O4 Ag5 O5 75.76(12) 1_455 1_455 ?
O4 Ag5 O8 81.88(11) 1_455 1_455 ?
O8 Ag5 O9 69.66(11) 1_455 . ?
O8 Ag5 O12 110.16(10) 1_455 . ?
O8 Ag5 O10 138.84(11) 1_455 2_566 ?
O8 Ag5 O12 145.32(12) 1_455 2_566 ?
O8 Ag5 O5 69.62(12) 1_455 1_455 ?
O9 Ag5 O5 115.59(10) . 1_455 ?
O9 Ag5 O12 75.62(10) . . ?
O5 Ag5 O12 74.35(11) 1_455 . ?
O9 Ag5 O12 86.44(10) . 2_566 ?
O5 Ag5 O12 145.04(10) 1_455 2_566 ?
O12 Ag5 O12 86.49(11) . 2_566 ?
O9 Ag5 O10 149.22(10) . 2_566 ?
O5 Ag5 O10 76.47(10) 1_455 2_566 ?
O12 Ag5 O10 81.36(11) . 2_566 ?
O12 Ag5 O10 71.86(10) 2_566 2_566 ?
O3 S1 O2 113.5(3) . . ?
O3 S1 O1 113.5(3) . . ?
O2 S1 O1 110.2(2) . . ?
O3 S1 C2 106.7(2) . . ?
O2 S1 C2 106.0(2) . . ?
O1 S1 C2 106.3(2) . . ?
O7 S2 O5 113.8(2) . . ?
O7 S2 O6 113.1(2) . . ?
O5 S2 O6 110.9(2) . . ?
O7 S2 C7 106.4(2) . . ?
O5 S2 C7 105.90(18) . . ?
O6 S2 C7 106.08(19) . . ?
O11 S3 O10 113.1(2) . . ?
O11 S3 O9 114.3(2) . . ?
O10 S3 O9 110.5(2) . . ?
O11 S3 C12 106.4(2) . . ?
O10 S3 C12 106.4(2) . . ?
O9 S3 C12 105.42(19) . . ?
Ag2 O1W H1W1 116(6) . . ?
Ag2 O1W H1W2 91(6) . . ?
H1W1 O1W H1W2 109(7) . . ?
S1 O1 Ag1 132.5(2) . 2_655 ?
S1 O2 Ag1 103.9(2) . . ?
C3 O4 Ag2 129.4(3) . . ?
C3 O4 Ag3 119.4(3) . . ?
Ag2 O4 Ag3 101.79(11) . . ?
S2 O5 Ag3 118.53(18) . . ?
S2 O5 Ag5 135.0(2) . 1_655 ?
Ag3 O5 Ag5 90.09(11) . 1_655 ?
S2 O6 Ag3 118.04(19) . 2_666 ?
C8 O8 Ag1 117.3(3) . . ?
C8 O8 Ag2 133.0(3) . . ?
Ag1 O8 Ag2 104.49(12) . . ?
S3 O9 Ag5 123.93(18) . . ?
S3 O9 Ag4 99.63(16) . . ?
Ag5 O9 Ag4 82.45(10) . . ?
S3 O10 Ag3 140.5(2) . 2_666 ?
S3 O10 Ag5 130.21(19) . 2_566 ?
Ag3 O10 Ag5 88.88(11) 2_666 2_566 ?
C13 O12 Ag4 121.3(3) . 2_566 ?
C13 O12 Ag5 118.9(3) . . ?
Ag4 O12 Ag5 104.32(11) 2_566 . ?
C13 O12 Ag5 125.5(3) . 2_566 ?
Ag4 O12 Ag5 86.17(10) 2_566 2_566 ?
Ag5 O12 Ag5 93.51(10) . 2_566 ?
N4 O13 Ag4 93.3(3) . . ?
N4 O14 Ag4 96.6(3) . . ?
N4 O15 Ag2 116.3(3) . . ?
N5 O16 Ag4 118.1(3) . . ?
N5 O16 Ag1 94.7(3) . 1_455 ?
Ag4 O16 Ag1 98.99(14) . 1_455 ?
N5 O17 Ag1 95.8(3) . 1_455 ?
C1 N1 C5 120.7(4) . . ?
C1 N1 H1N 119.6 . . ?
C5 N1 H1N 119.6 . . ?
C6 N2 C10 120.8(4) . . ?
C6 N2 H2N 119.6 . . ?
C10 N2 H2N 119.6 . . ?
C11 N3 C15 121.0(4) . . ?
C11 N3 H3N 119.5 . . ?
C15 N3 H3N 119.5 . . ?
O13 N4 O15 119.7(4) . . ?
O13 N4 O14 120.1(4) . . ?
O15 N4 O14 120.1(4) . . ?
O18 N5 O17 120.1(4) . . ?
O18 N5 O16 120.6(4) . . ?
O17 N5 O16 119.3(4) . . ?
N1 C1 C2 121.1(5) . . ?
N1 C1 H1 119.5 . . ?
C2 C1 H1 119.5 . . ?
C1 C2 C3 121.0(4) . . ?
C1 C2 S1 118.8(4) . . ?
C3 C2 S1 120.3(3) . . ?
O4 C3 C4 121.7(4) . . ?
O4 C3 C2 123.6(4) . . ?
C4 C3 C2 114.7(4) . . ?
C5 C4 C3 121.1(5) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
N1 C5 C4 121.4(5) . . ?
N1 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
N2 C6 C7 120.7(4) . . ?
N2 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C8 121.0(4) . . ?
C6 C7 S2 117.3(3) . . ?
C8 C7 S2 121.7(3) . . ?
O8 C8 C7 123.0(4) . . ?
O8 C8 C9 122.6(4) . . ?
C7 C8 C9 114.3(4) . . ?
C10 C9 C8 122.3(4) . . ?
C10 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C9 C10 N2 120.9(4) . . ?
C9 C10 H10 119.6 . . ?
N2 C10 H10 119.6 . . ?
N3 C11 C12 120.9(4) . . ?
N3 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C13 120.8(4) . . ?
C11 C12 S3 118.6(3) . . ?
C13 C12 S3 120.6(3) . . ?
O12 C13 C14 122.6(4) . . ?
O12 C13 C12 122.6(4) . . ?
C14 C13 C12 114.8(4) . . ?
C15 C14 C13 121.4(4) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C14 C15 N3 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
N3 C15 H15 119.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 O8 2.338(3) . ?
Ag1 O1 2.428(4) 2_655 ?
Ag1 O1 3.001(5) . ?
Ag1 O2 2.526(4) . ?
Ag1 O9 2.960(5) 1_655 ?
Ag1 O17 2.544(4) 1_655 ?
Ag1 O16 2.565(5) 1_655 ?
Ag2 O1 2.651(3) . ?
Ag2 O4 2.425(3) . ?
Ag2 O6 2.632(3) . ?
Ag2 O8 2.436(3) . ?
Ag2 O15 2.452(4) . ?
Ag2 O1W 2.462(5) . ?
Ag3 O6 2.300(3) 2_666 ?
Ag3 O5 2.396(3) . ?
Ag3 O10 2.430(3) 2_666 ?
Ag3 O14 2.670(3) 2_666 ?
Ag3 O4 2.465(3) . ?
Ag3 Ag3 3.2748(8) 2_666 ?
Ag4 O12 2.354(3) 2_566 ?
Ag4 O14 2.519(4) . ?
Ag4 O16 2.540(5) . ?
Ag4 O9 2.577(3) . ?
Ag4 O10 2.858(5) . ?
Ag4 O13 2.596(4) . ?
Ag4 O2 2.672(4) 1_455 ?
Ag4 Ag5 3.3802(8) . ?
Ag5 O9 2.552(3) . ?
Ag5 O5 2.568(3) 1_455 ?
Ag5 O12 2.582(3) . ?
Ag5 O12 2.588(3) 2_566 ?
Ag5 O10 2.588(4) 2_566 ?
Ag5 O2 2.624(4) 1_455 ?
Ag5 O4 2.651(4) 1_455 ?
Ag5 O8 2.836(3) 1_455 ?
S1 O3 1.441(4) . ?
S1 O2 1.456(4) . ?
S1 O1 1.458(4) . ?
S1 C2 1.757(4) . ?
S2 O7 1.434(3) . ?
S2 O5 1.458(3) . ?
S2 O6 1.473(3) . ?
S2 C7 1.768(4) . ?
S3 O11 1.441(3) . ?
S3 O10 1.459(3) . ?
S3 O9 1.465(3) . ?
S3 C12 1.766(4) . ?
O1W H1W1 0.85(4) . ?
O1W H1W2 0.85(8) . ?
O1 Ag1 2.428(4) 2_655 ?
O4 C3 1.269(5) . ?
O5 Ag5 2.568(3) 1_655 ?
O6 Ag3 2.300(3) 2_666 ?
O8 C8 1.269(5) . ?
O10 Ag3 2.430(3) 2_666 ?
O10 Ag5 2.588(4) 2_566 ?
O12 C13 1.274(5) . ?
O12 Ag4 2.354(3) 2_566 ?
O12 Ag5 2.588(3) 2_566 ?
O13 N4 1.237(5) . ?
O14 N4 1.253(5) . ?
O15 N4 1.247(5) . ?
O16 N5 1.254(5) . ?
O16 Ag1 2.565(5) 1_455 ?
O17 N5 1.250(6) . ?
O17 Ag1 2.544(4) 1_455 ?
O18 N5 1.242(6) . ?
N1 C1 1.342(6) . ?
N1 C5 1.350(7) . ?
N1 H1N 0.8600 . ?
N2 C6 1.353(6) . ?
N2 C10 1.356(7) . ?
N2 H2N 0.8600 . ?
N3 C11 1.342(6) . ?
N3 C15 1.355(6) . ?
N3 H3N 0.8600 . ?
C1 C2 1.363(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.437(6) . ?
C3 C4 1.434(6) . ?
C4 C5 1.351(7) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.369(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.435(6) . ?
C8 C9 1.435(6) . ?
C9 C10 1.336(7) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.366(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.439(6) . ?
C13 C14 1.426(6) . ?
C14 C15 1.354(7) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1W1 O16 0.85(4) 2.22(6) 2.845(6) 131(6) 2
O1W H1W1 O3 0.85(4) 2.48(6) 2.974(7) 118(5) 2_655
O1W H1W2 O18 0.85(8) 2.37(7) 2.950(6) 126(7) .
N1 H1N O15 0.86 1.96 2.810(5) 171.3 2_665
N2 H2N O1W 0.86 1.90 2.759(5) 173.5 2_656
N3 H3N O18 0.86 1.95 2.797(5) 170.3 2_556
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 S1 O1 Ag1 6.7(4) . . . 2_655 ?
O2 S1 O1 Ag1 -121.9(3) . . . 2_655 ?
C2 S1 O1 Ag1 123.7(3) . . . 2_655 ?
O3 S1 O2 Ag1 -93.3(3) . . . . ?
O1 S1 O2 Ag1 35.3(3) . . . . ?
C2 S1 O2 Ag1 149.96(18) . . . . ?
O8 Ag1 O2 S1 -103.3(2) . . . . ?
O1 Ag1 O2 S1 16.2(3) 2_655 . . . ?
O17 Ag1 O2 S1 131.09(19) 1_655 . . . ?
O16 Ag1 O2 S1 112.8(2) 1_655 . . . ?
O8 Ag2 O4 C3 122.7(4) . . . . ?
O15 Ag2 O4 C3 -50.7(4) . . . . ?
O8 Ag2 O4 Ag3 -92.32(12) . . . . ?
O15 Ag2 O4 Ag3 94.31(14) . . . . ?
O6 Ag3 O4 C3 48.3(3) 2_666 . . . ?
O5 Ag3 O4 C3 -154.6(3) . . . . ?
O10 Ag3 O4 C3 -69.9(3) 2_666 . . . ?
Ag3 Ag3 O4 C3 125.6(3) 2_666 . . . ?
O6 Ag3 O4 Ag2 -101.09(14) 2_666 . . . ?
O5 Ag3 O4 Ag2 55.93(12) . . . . ?
O10 Ag3 O4 Ag2 140.65(14) 2_666 . . . ?
Ag3 Ag3 O4 Ag2 -23.79(11) 2_666 . . . ?
O7 S2 O5 Ag3 -88.4(3) . . . . ?
O6 S2 O5 Ag3 40.5(3) . . . . ?
C7 S2 O5 Ag3 155.1(2) . . . . ?
O7 S2 O5 Ag5 148.6(3) . . . 1_655 ?
O6 S2 O5 Ag5 -82.6(3) . . . 1_655 ?
C7 S2 O5 Ag5 32.0(3) . . . 1_655 ?
O6 Ag3 O5 S2 36.6(4) 2_666 . . . ?
O10 Ag3 O5 S2 -179.0(2) 2_666 . . . ?
O4 Ag3 O5 S2 -105.4(2) . . . . ?
Ag3 Ag3 O5 S2 -2.7(2) 2_666 . . . ?
O6 Ag3 O5 Ag5 -179.74(16) 2_666 . . 1_655 ?
O10 Ag3 O5 Ag5 -35.37(11) 2_666 . . 1_655 ?
O4 Ag3 O5 Ag5 38.25(11) . . . 1_655 ?
Ag3 Ag3 O5 Ag5 140.88(9) 2_666 . . 1_655 ?
O7 S2 O6 Ag3 52.6(3) . . . 2_666 ?
O5 S2 O6 Ag3 -76.6(2) . . . 2_666 ?
C7 S2 O6 Ag3 168.88(19) . . . 2_666 ?
O1 Ag1 O8 C8 91.0(3) 2_655 . . . ?
O2 Ag1 O8 C8 -139.7(3) . . . . ?
O17 Ag1 O8 C8 -18.4(4) 1_655 . . . ?
O16 Ag1 O8 C8 -83.5(3) 1_655 . . . ?
O1 Ag1 O8 Ag2 -66.95(17) 2_655 . . . ?
O2 Ag1 O8 Ag2 62.31(14) . . . . ?
O17 Ag1 O8 Ag2 -176.32(11) 1_655 . . . ?
O16 Ag1 O8 Ag2 118.51(16) 1_655 . . . ?
O4 Ag2 O8 C8 118.9(4) . . . . ?
O1W Ag2 O8 C8 -60.2(4) . . . . ?
O4 Ag2 O8 Ag1 -88.20(14) . . . . ?
O1W Ag2 O8 Ag1 92.65(16) . . . . ?
O11 S3 O9 Ag5 174.7(2) . . . . ?
O10 S3 O9 Ag5 -56.3(3) . . . . ?
C12 S3 O9 Ag5 58.2(2) . . . . ?
O11 S3 O9 Ag4 -97.9(2) . . . . ?
O10 S3 O9 Ag4 31.1(2) . . . . ?
C12 S3 O9 Ag4 145.58(15) . . . . ?
O5 Ag5 O9 S3 -81.1(2) 1_455 . . . ?
O12 Ag5 O9 S3 -16.6(2) . . . . ?
O12 Ag5 O9 S3 70.7(2) 2_566 . . . ?
O10 Ag5 O9 S3 26.2(4) 2_566 . . . ?
O5 Ag5 O9 Ag4 -177.61(9) 1_455 . . . ?
O12 Ag5 O9 Ag4 -113.18(10) . . . . ?
O12 Ag5 O9 Ag4 -25.89(9) 2_566 . . . ?
O10 Ag5 O9 Ag4 -70.4(2) 2_566 . . . ?
O12 Ag4 O9 S3 -94.63(17) 2_566 . . . ?
O14 Ag4 O9 S3 30.47(19) . . . . ?
O16 Ag4 O9 S3 114.63(19) . . . . ?
O13 Ag4 O9 S3 50.2(4) . . . . ?
O12 Ag4 O9 Ag5 28.64(10) 2_566 . . . ?
O14 Ag4 O9 Ag5 153.74(10) . . . . ?
O16 Ag4 O9 Ag5 -122.10(12) . . . . ?
O13 Ag4 O9 Ag5 173.5(2) . . . . ?
O11 S3 O10 Ag3 2.9(4) . . . 2_666 ?
O9 S3 O10 Ag3 -126.8(3) . . . 2_666 ?
C12 S3 O10 Ag3 119.3(3) . . . 2_666 ?
O11 S3 O10 Ag5 -167.4(2) . . . 2_566 ?
O9 S3 O10 Ag5 63.0(3) . . . 2_566 ?
C12 S3 O10 Ag5 -50.9(3) . . . 2_566 ?
O9 Ag5 O12 C13 -47.0(3) . . . . ?
O5 Ag5 O12 C13 75.3(3) 1_455 . . . ?
O12 Ag5 O12 C13 -134.3(3) 2_566 . . . ?
O10 Ag5 O12 C13 153.6(3) 2_566 . . . ?
O9 Ag5 O12 Ag4 174.16(14) . . . 2_566 ?
O5 Ag5 O12 Ag4 -63.50(12) 1_455 . . 2_566 ?
O12 Ag5 O12 Ag4 86.94(11) 2_566 . . 2_566 ?
O10 Ag5 O12 Ag4 14.77(11) 2_566 . . 2_566 ?
O9 Ag5 O12 Ag5 87.22(11) . . . 2_566 ?
O5 Ag5 O12 Ag5 -150.45(11) 1_455 . . 2_566 ?
O12 Ag5 O12 Ag5 0.0 2_566 . . 2_566 ?
O10 Ag5 O12 Ag5 -72.17(10) 2_566 . . 2_566 ?
O12 Ag4 O13 N4 117.2(3) 2_566 . . . ?
O14 Ag4 O13 N4 -0.9(2) . . . . ?
O16 Ag4 O13 N4 -86.8(3) . . . . ?
O9 Ag4 O13 N4 -25.6(5) . . . . ?
O12 Ag4 O14 N4 -85.1(3) 2_566 . . . ?
O16 Ag4 O14 N4 96.5(3) . . . . ?
O9 Ag4 O14 N4 171.0(2) . . . . ?
O13 Ag4 O14 N4 0.9(2) . . . . ?
O4 Ag2 O15 N4 -127.6(4) . . . . ?
O1W Ag2 O15 N4 50.6(4) . . . . ?
O12 Ag4 O16 N5 -124.7(4) 2_566 . . . ?
O14 Ag4 O16 N5 52.9(4) . . . . ?
O9 Ag4 O16 N5 -56.8(4) . . . . ?
O13 Ag4 O16 N5 102.6(4) . . . . ?
O12 Ag4 O16 Ag1 -24.4(3) 2_566 . . 1_455 ?
O14 Ag4 O16 Ag1 153.11(12) . . . 1_455 ?
O9 Ag4 O16 Ag1 43.40(11) . . . 1_455 ?
O13 Ag4 O16 Ag1 -157.19(12) . . . 1_455 ?
Ag4 O13 N4 O15 -178.7(4) . . . . ?
Ag4 O13 N4 O14 1.7(4) . . . . ?
Ag2 O15 N4 O13 -176.1(3) . . . . ?
Ag2 O15 N4 O14 3.6(6) . . . . ?
Ag4 O14 N4 O13 -1.7(4) . . . . ?
Ag4 O14 N4 O15 178.6(4) . . . . ?
Ag1 O17 N5 O18 174.7(4) 1_455 . . . ?
Ag1 O17 N5 O16 -4.8(5) 1_455 . . . ?
Ag4 O16 N5 O18 -72.0(5) . . . . ?
Ag1 O16 N5 O18 -174.8(4) 1_455 . . . ?
Ag4 O16 N5 O17 107.6(4) . . . . ?
Ag1 O16 N5 O17 4.8(4) 1_455 . . . ?
C5 N1 C1 C2 -0.8(7) . . . . ?
N1 C1 C2 C3 -1.0(7) . . . . ?
N1 C1 C2 S1 178.8(3) . . . . ?
O3 S1 C2 C1 -0.1(5) . . . . ?
O2 S1 C2 C1 121.1(4) . . . . ?
O1 S1 C2 C1 -121.6(4) . . . . ?
O3 S1 C2 C3 179.7(4) . . . . ?
O2 S1 C2 C3 -59.1(4) . . . . ?
O1 S1 C2 C3 58.2(4) . . . . ?
Ag2 O4 C3 C4 126.1(4) . . . . ?
Ag3 O4 C3 C4 -13.9(5) . . . . ?
Ag2 O4 C3 C2 -54.0(5) . . . . ?
Ag3 O4 C3 C2 166.1(3) . . . . ?
C1 C2 C3 O4 -178.2(4) . . . . ?
S1 C2 C3 O4 2.0(6) . . . . ?
C1 C2 C3 C4 1.7(6) . . . . ?
S1 C2 C3 C4 -178.1(3) . . . . ?
O4 C3 C4 C5 179.3(4) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C1 N1 C5 C4 2.0(7) . . . . ?
C3 C4 C5 N1 -1.2(7) . . . . ?
C10 N2 C6 C7 1.2(6) . . . . ?
N2 C6 C7 C8 1.6(6) . . . . ?
N2 C6 C7 S2 -176.3(3) . . . . ?
O7 S2 C7 C6 2.3(4) . . . . ?
O5 S2 C7 C6 123.7(3) . . . . ?
O6 S2 C7 C6 -118.4(3) . . . . ?
O7 S2 C7 C8 -175.6(3) . . . . ?
O5 S2 C7 C8 -54.2(4) . . . . ?
O6 S2 C7 C8 63.7(4) . . . . ?
Ag1 O8 C8 C7 172.9(3) . . . . ?
Ag2 O8 C8 C7 -36.9(6) . . . . ?
Ag1 O8 C8 C9 -5.7(5) . . . . ?
Ag2 O8 C8 C9 144.5(3) . . . . ?
C6 C7 C8 O8 177.8(4) . . . . ?
S2 C7 C8 O8 -4.4(6) . . . . ?
C6 C7 C8 C9 -3.5(6) . . . . ?
S2 C7 C8 C9 174.3(3) . . . . ?
O8 C8 C9 C10 -178.2(4) . . . . ?
C7 C8 C9 C10 3.0(6) . . . . ?
C8 C9 C10 N2 -0.5(7) . . . . ?
C6 N2 C10 C9 -1.7(7) . . . . ?
C15 N3 C11 C12 1.2(7) . . . . ?
N3 C11 C12 C13 1.4(6) . . . . ?
N3 C11 C12 S3 -178.1(3) . . . . ?
O11 S3 C12 C11 -3.2(4) . . . . ?
O10 S3 C12 C11 -124.1(3) . . . . ?
O9 S3 C12 C11 118.5(3) . . . . ?
O11 S3 C12 C13 177.4(3) . . . . ?
O10 S3 C12 C13 56.5(4) . . . . ?
O9 S3 C12 C13 -60.9(4) . . . . ?
Ag4 O12 C13 C14 14.1(5) 2_566 . . . ?
Ag5 O12 C13 C14 -117.6(4) . . . . ?
Ag5 O12 C13 C14 123.8(4) 2_566 . . . ?
Ag4 O12 C13 C12 -166.3(3) 2_566 . . . ?
Ag5 O12 C13 C12 62.0(5) . . . . ?
Ag5 O12 C13 C12 -56.6(5) 2_566 . . . ?
C11 C12 C13 O12 176.9(4) . . . . ?
S3 C12 C13 O12 -3.7(6) . . . . ?
C11 C12 C13 C14 -3.5(6) . . . . ?
S3 C12 C13 C14 175.9(3) . . . . ?
O12 C13 C14 C15 -177.0(4) . . . . ?
C12 C13 C14 C15 3.3(7) . . . . ?
C13 C14 C15 N3 -1.0(8) . . . . ?
C11 N3 C15 C14 -1.4(7) . . . . ?
