#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/25/7202592.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_7202592
loop_
_publ_author_name
'Lian, Zhao-Xun'
'Cai, Jiwen'
'Chen, Cai-Hong'
'Luo, Hai-Bin'
_publ_section_title
;
 Linear silver isonicotinamide complex extended by arenedisulfonate via
 hydrogen bonds and weak Ag?O interactions
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              319
_journal_paper_doi               10.1039/b616289d
_journal_volume                  9
_journal_year                    2007
_chemical_formula_moiety         'C34 H30 Ag2 N8 O10 S2, 2(O)'
_chemical_formula_sum            'C34 H34 Ag2 N8 O12 S2'
_chemical_formula_weight         1026.55
_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                95.575(9)
_cell_angle_beta                 91.129(10)
_cell_angle_gamma                95.722(10)
_cell_formula_units_Z            2
_cell_length_a                   7.622(4)
_cell_length_b                   10.286(5)
_cell_length_c                   24.546(13)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     1904.9(17)
_computing_cell_refinement       'SAINT-PLUS (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT-PLUS
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2005)'
_diffrn_ambient_temperature      273(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Bruker AXS SMART 1000 CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            11399
_diffrn_reflns_theta_full        27.07
_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.212
_exptl_absorpt_correction_T_max  0.785
_exptl_absorpt_correction_T_min  0.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.953
_refine_diff_density_min         -1.105
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.0036(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         8078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0463
_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)+(0.0646P)²+2.9796P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1388
_reflns_number_gt                6290
_reflns_number_total             8078
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616289d.txt
_cod_data_source_block           1
_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.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' 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_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7202592
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 0.78090(5) 0.44000(3) 0.471547(13) 0.05968(14) Uani 1 1 d . . .
Ag2 Ag 0.27614(5) 0.43835(3) 0.979544(13) 0.05864(14) Uani 1 1 d . . .
S1 S 0.66749(13) 0.73958(8) 0.55534(3) 0.0389(2) Uani 1 1 d . . .
S2 S 0.18331(13) 0.74201(8) 1.05155(3) 0.0389(2) Uani 1 1 d . . .
O1 O 0.6515(5) 0.6545(3) 0.50480(12) 0.0610(8) Uani 1 1 d . . .
O2 O 0.5976(4) 0.6763(3) 0.60130(13) 0.0596(8) Uani 1 1 d . . .
O3 O 0.8449(4) 0.8034(3) 0.56590(12) 0.0498(7) Uani 1 1 d . . .
O4 O 0.1781(5) 0.6620(3) 0.99947(12) 0.0699(10) Uani 1 1 d . . .
O5 O 0.1178(4) 0.6709(3) 1.09586(13) 0.0602(8) Uani 1 1 d . . .
O6 O 0.3553(4) 0.8130(3) 1.06441(15) 0.0612(8) Uani 1 1 d . . .
O7 O 0.7128(5) 0.1449(3) 0.71884(11) 0.0594(8) Uani 1 1 d . . .
O8 O 0.8588(4) 0.7332(3) 0.22067(13) 0.0603(8) Uani 1 1 d . . .
O9 O 0.6627(4) 0.5161(3) 0.72606(12) 0.0610(8) Uani 1 1 d . . .
O10 O 0.1483(4) 0.1393(3) 1.22482(12) 0.0597(8) Uani 1 1 d . . .
N1 N 0.7878(4) 0.3284(3) 0.54030(13) 0.0429(7) Uani 1 1 d . . .
N2 N 0.8275(5) 0.5022(3) 0.39132(13) 0.0468(7) Uani 1 1 d . . .
N3 N 0.3445(4) 0.4845(3) 0.89835(12) 0.0438(7) Uani 1 1 d . . .
N4 N 0.2650(4) 0.3262(3) 1.04882(13) 0.0419(7) Uani 1 1 d . . .
N5 N 0.8202(5) -0.0247(3) 0.67038(14) 0.0570(9) Uani 1 1 d . . .
H5A H 0.8199 -0.0700 0.6980 0.068 Uiso 1 1 calc R . .
H5B H 0.8560 -0.0564 0.6393 0.068 Uiso 1 1 calc R . .
N6 N 1.0673(5) 0.5973(3) 0.20775(13) 0.0524(8) Uani 1 1 d . . .
H6A H 1.0932 0.6241 0.1765 0.063 Uiso 1 1 calc R . .
H6B H 1.1232 0.5373 0.2202 0.063 Uiso 1 1 calc R . .
N7 N 0.4764(4) 0.6670(3) 0.71557(13) 0.0491(8) Uani 1 1 d . . .
H7A H 0.5192 0.6842 0.6846 0.059 Uiso 1 1 calc R . .
H7B H 0.3913 0.7082 0.7287 0.059 Uiso 1 1 calc R . .
N8 N 0.2592(5) -0.0305(3) 1.17735(14) 0.0605(10) Uani 1 1 d . . .
H8A H 0.2511 -0.0775 1.2045 0.073 Uiso 1 1 calc R . .
H8B H 0.3004 -0.0612 1.1469 0.073 Uiso 1 1 calc R . .
C1 C 0.7042(6) 0.3619(4) 0.58618(16) 0.0488(9) Uani 1 1 d . . .
H1 H 0.6502 0.4394 0.5888 0.059 Uiso 1 1 calc R . .
C2 C 0.6948(6) 0.2866(4) 0.62958(16) 0.0467(9) Uani 1 1 d . . .
H2 H 0.6367 0.3137 0.6610 0.056 Uiso 1 1 calc R . .
C3 C 0.7725(5) 0.1703(3) 0.62619(14) 0.0368(7) Uani 1 1 d . . .
C4 C 0.8569(5) 0.1344(4) 0.57880(15) 0.0409(8) Uani 1 1 d . . .
H4 H 0.9085 0.0559 0.5748 0.049 Uiso 1 1 calc R . .
C5 C 0.8641(5) 0.2164(4) 0.53727(15) 0.0421(8) Uani 1 1 d . . .
H5 H 0.9246 0.1927 0.5059 0.050 Uiso 1 1 calc R . .
C6 C 0.9217(6) 0.4357(4) 0.35492(17) 0.0507(9) Uani 1 1 d . . .
H6 H 0.9635 0.3585 0.3641 0.061 Uiso 1 1 calc R . .
C7 C 0.9594(5) 0.4773(4) 0.30421(17) 0.0473(9) Uani 1 1 d . . .
H7 H 1.0233 0.4276 0.2796 0.057 Uiso 1 1 calc R . .
C8 C 0.9012(5) 0.5937(4) 0.29032(15) 0.0396(8) Uani 1 1 d . . .
C9 C 0.8019(6) 0.6603(4) 0.32749(16) 0.0486(9) Uani 1 1 d . . .
H9 H 0.7584 0.7377 0.3193 0.058 Uiso 1 1 calc R . .
C10 C 0.7673(6) 0.6119(4) 0.37673(16) 0.0526(10) Uani 1 1 d . . .
H10 H 0.6985 0.6577 0.4012 0.063 Uiso 1 1 calc R . .
C11 C 0.4355(5) 0.4028(4) 0.86680(16) 0.0445(8) Uani 1 1 d . . .
H11 H 0.4581 0.3236 0.8794 0.053 Uiso 1 1 calc R . .
C12 C 0.4966(5) 0.4310(4) 0.81669(16) 0.0442(8) Uani 1 1 d . . .
H12 H 0.5604 0.3722 0.7962 0.053 Uiso 1 1 calc R . .
C13 C 0.4627(4) 0.5480(3) 0.79677(14) 0.0359(7) Uani 1 1 d . . .
C14 C 0.3647(5) 0.6303(4) 0.82830(14) 0.0409(8) Uani 1 1 d . . .
H14 H 0.3366 0.7085 0.8159 0.049 Uiso 1 1 calc R . .
C15 C 0.3086(5) 0.5955(4) 0.87854(15) 0.0453(9) Uani 1 1 d . . .
H15 H 0.2429 0.6520 0.8995 0.054 Uiso 1 1 calc R . .
C16 C 0.3482(5) 0.2174(4) 1.04852(15) 0.0417(8) Uani 1 1 d . . .
H16 H 0.4199 0.1966 1.0194 0.050 Uiso 1 1 calc R . .
C17 C 0.3319(5) 0.1353(4) 1.08949(15) 0.0415(8) Uani 1 1 d . . .
H17 H 0.3892 0.0593 1.0876 0.050 Uiso 1 1 calc R . .
C18 C 0.2289(5) 0.1673(3) 1.13360(14) 0.0375(7) Uani 1 1 d . . .
C19 C 0.1438(6) 0.2798(4) 1.13421(16) 0.0457(9) Uani 1 1 d . . .
H19 H 0.0731 0.3037 1.1632 0.055 Uiso 1 1 calc R . .
C20 C 0.1651(6) 0.3560(4) 1.09131(16) 0.0466(9) Uani 1 1 d . . .
H20 H 0.1074 0.4316 1.0920 0.056 Uiso 1 1 calc R . .
C21 C 0.7656(5) 0.0939(4) 0.67558(15) 0.0432(8) Uani 1 1 d . . .
C22 C 0.9421(5) 0.6480(4) 0.23647(15) 0.0417(8) Uani 1 1 d . . .
C23 C 0.5414(5) 0.5774(4) 0.74307(14) 0.0401(8) Uani 1 1 d . . .
C24 C 0.2084(5) 0.0892(4) 1.18244(15) 0.0430(8) Uani 1 1 d . . .
C25 C 0.6788(5) 0.9263(4) 0.46062(15) 0.0397(8) Uani 1 1 d . . .
H25 H 0.7507 0.8588 0.4625 0.048 Uiso 1 1 calc R . .
C26 C 0.5549(4) 0.9474(3) 0.50160(13) 0.0328(7) Uani 1 1 d . . .
C27 C 0.5319(4) 0.8691(3) 0.54645(14) 0.0347(7) Uani 1 1 d . . .
C28 C 0.4108(5) 0.8941(4) 0.58533(15) 0.0410(8) Uani 1 1 d . . .
H28 H 0.3985 0.8425 0.6144 0.049 Uiso 1 1 calc R . .
C29 C 0.3044(5) 0.9973(4) 0.58179(16) 0.0452(9) Uani 1 1 d . . .
H29 H 0.2223 1.0136 0.6085 0.054 Uiso 1 1 calc R . .
C30 C 0.1880(5) 0.9391(4) 0.96058(15) 0.0400(8) Uani 1 1 d . . .
H30 H 0.2641 0.8741 0.9614 0.048 Uiso 1 1 calc R . .
C31 C 0.0580(4) 0.9495(3) 1.00090(13) 0.0313(7) Uani 1 1 d . . .
C32 C 0.0372(4) 0.8654(3) 1.04381(13) 0.0332(7) Uani 1 1 d . . .
C33 C -0.0897(5) 0.8791(3) 1.08187(14) 0.0392(8) Uani 1 1 d . . .
H33 H -0.1006 0.8232 1.1094 0.047 Uiso 1 1 calc R . .
C34 C -0.2038(5) 0.9777(4) 1.07936(16) 0.0458(9) Uani 1 1 d . . .
H34 H -0.2907 0.9863 1.1052 0.055 Uiso 1 1 calc R . .
OW1 O -0.2082(6) 0.1603(4) 1.2548(2) 0.1111(17) Uani 1 1 d . . .
OW2 O 0.6353(7) 0.9161(5) 0.2472(4) 0.207(4) 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'
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
N1 Ag1 N2 160.61(13) . . ?
N1 Ag1 O1 106.61(12) . . ?
N2 Ag1 O1 92.43(12) . . ?
N4 Ag2 N3 156.55(12) . . ?
N4 Ag2 O4 113.40(12) . . ?
N3 Ag2 O4 89.66(12) . . ?
O2 S1 O1 113.0(2) . . ?
O2 S1 O3 112.95(19) . . ?
O1 S1 O3 112.5(2) . . ?
O2 S1 C27 105.70(17) . . ?
O1 S1 C27 106.34(17) . . ?
O3 S1 C27 105.62(16) . . ?
O5 S2 O6 112.3(2) . . ?
O5 S2 O4 113.4(2) . . ?
O6 S2 O4 112.3(2) . . ?
O5 S2 C32 106.29(17) . . ?
O6 S2 C32 105.43(17) . . ?
O4 S2 C32 106.33(17) . . ?
S1 O1 Ag1 133.80(18) . . ?
S2 O4 Ag2 128.16(17) . . ?
C5 N1 C1 117.7(3) . . ?
C5 N1 Ag1 120.8(3) . . ?
C1 N1 Ag1 121.3(2) . . ?
C6 N2 C10 117.4(3) . . ?
C6 N2 Ag1 121.7(3) . . ?
C10 N2 Ag1 120.8(3) . . ?
C15 N3 C11 117.5(3) . . ?
C15 N3 Ag2 122.8(3) . . ?
C11 N3 Ag2 119.6(2) . . ?
C20 N4 C16 118.0(3) . . ?
C20 N4 Ag2 121.5(2) . . ?
C16 N4 Ag2 120.4(3) . . ?
C21 N5 H5A 120.0 . . ?
C21 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C22 N6 H6A 120.0 . . ?
C22 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
C23 N7 H7A 120.0 . . ?
C23 N7 H7B 120.0 . . ?
H7A N7 H7B 120.0 . . ?
C24 N8 H8A 120.0 . . ?
C24 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
N1 C1 C2 122.7(3) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 119.5(4) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 118.0(3) . . ?
C4 C3 C21 124.2(3) . . ?
C2 C3 C21 117.7(3) . . ?
C3 C4 C5 119.2(3) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 122.8(3) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
N2 C6 C7 122.5(4) . . ?
N2 C6 H6 118.7 . . ?
C7 C6 H6 118.7 . . ?
C6 C7 C8 119.5(4) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C9 C8 C7 117.7(3) . . ?
C9 C8 C22 119.6(3) . . ?
C7 C8 C22 122.7(3) . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
N2 C10 C9 123.3(4) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N3 C11 C12 122.8(3) . . ?
N3 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C11 C12 C13 119.5(3) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 117.8(3) . . ?
C14 C13 C23 124.9(3) . . ?
C12 C13 C23 117.3(3) . . ?
C13 C14 C15 119.3(3) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
N3 C15 C14 123.0(4) . . ?
N3 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
N4 C16 C17 122.7(4) . . ?
N4 C16 H16 118.6 . . ?
C17 C16 H16 118.6 . . ?
C16 C17 C18 118.9(3) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C19 C18 C17 118.5(3) . . ?
C19 C18 C24 117.5(3) . . ?
C17 C18 C24 123.9(3) . . ?
C20 C19 C18 119.0(4) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
N4 C20 C19 122.8(3) . . ?
N4 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
O7 C21 N5 123.2(3) . . ?
O7 C21 C3 119.0(3) . . ?
N5 C21 C3 117.9(3) . . ?
O8 C22 N6 122.7(4) . . ?
O8 C22 C8 120.4(4) . . ?
N6 C22 C8 117.0(3) . . ?
O9 C23 N7 122.4(4) . . ?
O9 C23 C13 118.6(3) . . ?
N7 C23 C13 119.0(3) . . ?
O10 C24 N8 123.4(4) . . ?
O10 C24 C18 119.3(3) . . ?
N8 C24 C18 117.3(3) . . ?
C29 C25 C26 121.4(3) 2_676 . ?
C29 C25 H25 119.3 2_676 . ?
C26 C25 H25 119.3 . . ?
C25 C26 C27 123.3(3) . . ?
C25 C26 C26 118.8(4) . 2_676 ?
C27 C26 C26 117.9(4) . 2_676 ?
C28 C27 C26 121.1(3) . . ?
C28 C27 S1 117.6(3) . . ?
C26 C27 S1 121.3(3) . . ?
C27 C28 C29 120.5(3) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C25 C29 C28 120.3(3) 2_676 . ?
C25 C29 H29 119.8 2_676 . ?
C28 C29 H29 119.8 . . ?
C34 C30 C31 121.5(3) 2_577 . ?
C34 C30 H30 119.2 2_577 . ?
C31 C30 H30 119.2 . . ?
C30 C31 C32 123.5(3) . . ?
C30 C31 C31 118.6(4) . 2_577 ?
C32 C31 C31 117.9(4) . 2_577 ?
C33 C32 C31 121.6(3) . . ?
C33 C32 S2 117.3(2) . . ?
C31 C32 S2 121.1(2) . . ?
C32 C33 C34 120.0(3) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C30 C34 C33 120.4(3) 2_577 . ?
C30 C34 H34 119.8 2_577 . ?
C33 C34 H34 119.8 . . ?
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 N1 2.134(3) . ?
Ag1 N2 2.154(3) . ?
Ag1 O1 2.573(3) . ?
Ag2 N4 2.144(3) . ?
Ag2 N3 2.155(3) . ?
Ag2 O4 2.496(3) . ?
S1 O2 1.441(3) . ?
S1 O1 1.443(3) . ?
S1 O3 1.450(3) . ?
S1 C27 1.793(3) . ?
S2 O5 1.439(3) . ?
S2 O6 1.449(3) . ?
S2 O4 1.449(3) . ?
S2 C32 1.791(3) . ?
O7 C21 1.231(5) . ?
O8 C22 1.220(5) . ?
O9 C23 1.228(4) . ?
O10 C24 1.233(5) . ?
N1 C5 1.337(5) . ?
N1 C1 1.338(5) . ?
N2 C6 1.336(5) . ?
N2 C10 1.337(5) . ?
N3 C15 1.334(5) . ?
N3 C11 1.340(5) . ?
N4 C20 1.334(5) . ?
N4 C16 1.339(5) . ?
N5 C21 1.323(5) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 C22 1.317(5) . ?
N6 H6A 0.8600 . ?
N6 H6B 0.8600 . ?
N7 C23 1.323(5) . ?
N7 H7A 0.8600 . ?
N7 H7B 0.8600 . ?
N8 C24 1.321(5) . ?
N8 H8A 0.8600 . ?
N8 H8B 0.8600 . ?
C1 C2 1.376(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(5) . ?
C3 C21 1.507(5) . ?
C4 C5 1.383(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.381(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.388(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.373(5) . ?
C8 C22 1.510(5) . ?
C9 C10 1.372(5) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.371(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.387(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.377(5) . ?
C13 C23 1.503(5) . ?
C14 C15 1.381(5) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.375(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.383(5) . ?
C17 H17 0.9300 . ?
C18 C19 1.381(5) . ?
C18 C24 1.509(5) . ?
C19 C20 1.375(5) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C25 C29 1.364(5) 2_676 ?
C25 C26 1.410(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.429(5) . ?
C26 C26 1.439(6) 2_676 ?
C27 C28 1.365(5) . ?
C28 C29 1.407(5) . ?
C28 H28 0.9300 . ?
C29 C25 1.364(5) 2_676 ?
C29 H29 0.9300 . ?
C30 C34 1.361(5) 2_577 ?
C30 C31 1.418(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.428(4) . ?
C31 C31 1.433(6) 2_577 ?
C32 C33 1.366(5) . ?
C33 C34 1.405(5) . ?
C33 H33 0.9300 . ?
C34 C30 1.361(5) 2_577 ?
C34 H34 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
N5 H5A O10 0.86 2.10 2.947(4) 166.2 2_657
N5 H5B O3 0.86 2.19 2.991(5) 154.7 1_545
N6 H6A O5 0.86 2.09 2.941(5) 170.6 1_654
N6 H6B O9 0.86 2.22 2.991(4) 148.9 2_766
N7 H7A O2 0.86 2.14 2.978(5) 165.3 .
N7 H7B OW1 0.86 2.06 2.897(5) 165.0 2_567
N8 H8A O7 0.86 2.09 2.922(4) 162.3 2_657
