#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/25/7202595.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_7202595
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         'C24 H24 Ag2 N8 O4, 2(C24 H20 Ag N4 O9 S2)'
_chemical_formula_sum            'C72 H64 Ag4 N16 O22 S4'
_chemical_formula_weight         2065.11
_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                100.51(3)
_cell_angle_beta                 103.36(3)
_cell_angle_gamma                102.01(3)
_cell_formula_units_Z            1
_cell_length_a                   9.4640(19)
_cell_length_b                   12.346(3)
_cell_length_c                   18.082(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     1950.7(9)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8420
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.659
_refine_diff_density_min         -2.205
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         7654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0512
_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)+(0.1056P)²+0.0814P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1495
_reflns_number_gt                5331
_reflns_number_total             7654
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616289d.txt
_cod_data_source_block           4
_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_cell_volume        1950.7(7)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7202595
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 0.59527(4) 0.07945(3) 0.44828(2) 0.05125(14) Uani 1 1 d . . .
Ag2 Ag 0.02838(4) 0.71385(3) 0.89894(2) 0.05680(15) Uani 1 1 d . . .
S1 S 0.69749(13) 0.13361(9) 0.68625(6) 0.0434(3) Uani 1 1 d . . .
S2 S 0.17492(13) 0.81965(9) 0.75109(6) 0.0432(3) Uani 1 1 d . . .
N1 N 0.4718(4) 0.2104(3) 0.4458(2) 0.0398(8) Uani 1 1 d . . .
N2 N 0.7414(4) -0.0365(3) 0.4508(2) 0.0413(8) Uani 1 1 d . . .
N3 N 0.0999(4) 0.4470(3) 0.3879(2) 0.0457(9) Uani 1 1 d . . .
H3A H 0.0469 0.4958 0.3880 0.055 Uiso 1 1 calc R . .
H3B H 0.0789 0.3910 0.3477 0.055 Uiso 1 1 calc R . .
N4 N 1.0939(4) -0.2858(3) 0.5103(2) 0.0489(10) Uani 1 1 d . . .
H4A H 1.1459 -0.3353 0.5100 0.059 Uiso 1 1 calc R . .
H4B H 1.1071 -0.2356 0.5528 0.059 Uiso 1 1 calc R . .
N5 N 0.1099(4) 0.5605(3) 0.8899(2) 0.0493(10) Uani 1 1 d . . .
N6 N -0.1059(4) 0.8353(3) 0.9109(2) 0.0453(9) Uani 1 1 d . . .
N7 N 0.1422(4) 0.1529(3) 0.8158(2) 0.0510(10) Uani 1 1 d . . .
H7A H 0.1639 0.0882 0.8112 0.061 Uiso 1 1 calc R . .
H7B H 0.0630 0.1596 0.7842 0.061 Uiso 1 1 calc R . .
N8 N -0.4808(4) 1.0746(3) 0.9071(3) 0.0550(11) Uani 1 1 d . . .
H8A H -0.5272 1.1270 0.9130 0.066 Uiso 1 1 calc R . .
H8B H -0.5284 1.0080 0.8774 0.066 Uiso 1 1 calc R . .
O1 O 0.2502(4) 0.5360(3) 0.50911(19) 0.0561(9) Uani 1 1 d . . .
O2 O 0.9700(4) -0.3571(3) 0.38287(18) 0.0571(9) Uani 1 1 d . . .
O3 O 0.3455(3) 0.2397(3) 0.91863(18) 0.0453(7) Uani 1 1 d . . .
O4 O -0.2657(5) 1.1894(3) 0.9859(2) 0.0825(14) Uani 1 1 d . . .
O5 O 0.6276(4) 0.5713(3) 0.85216(19) 0.0587(10) Uani 1 1 d . . .
O6 O 0.6617(5) 0.1311(3) 0.60417(19) 0.0706(11) Uani 1 1 d . . .
O7 O 0.8514(4) 0.1358(3) 0.7200(3) 0.0787(13) Uani 1 1 d . . .
O8 O 0.5921(4) 0.0446(3) 0.7032(2) 0.0635(10) Uani 1 1 d . . .
O9 O 0.1717(4) 0.8353(3) 0.67412(19) 0.0621(10) Uani 1 1 d . . .
O10 O 0.2172(4) 0.9260(3) 0.81067(19) 0.0589(9) Uani 1 1 d . . .
O11 O 0.0348(3) 0.7446(3) 0.7528(2) 0.0558(9) Uani 1 1 d . . .
C1 C 0.3830(5) 0.2179(4) 0.3794(3) 0.0458(11) Uani 1 1 d . . .
H1 H 0.3793 0.1696 0.3326 0.055 Uiso 1 1 calc R . .
C2 C 0.2957(5) 0.2952(4) 0.3774(3) 0.0439(10) Uani 1 1 d . . .
H2 H 0.2325 0.2969 0.3300 0.053 Uiso 1 1 calc R . .
C3 C 0.3029(4) 0.3696(3) 0.4460(2) 0.0334(8) Uani 1 1 d . . .
C4 C 0.3974(5) 0.3632(4) 0.5145(3) 0.0437(10) Uani 1 1 d . . .
H4 H 0.4058 0.4124 0.5618 0.052 Uiso 1 1 calc R . .
C5 C 0.4795(5) 0.2834(4) 0.5127(3) 0.0443(11) Uani 1 1 d . . .
H5 H 0.5426 0.2796 0.5594 0.053 Uiso 1 1 calc R . .
C6 C 0.2140(5) 0.4583(3) 0.4499(3) 0.0388(9) Uani 1 1 d . . .
C7 C 0.8217(4) -0.0501(3) 0.5181(2) 0.0358(9) Uani 1 1 d . . .
H7 H 0.8200 -0.0054 0.5650 0.043 Uiso 1 1 calc R . .
C8 C 0.9078(4) -0.1286(3) 0.5203(2) 0.0344(8) Uani 1 1 d . . .
H8 H 0.9639 -0.1354 0.5680 0.041 Uiso 1 1 calc R . .
C9 C 0.9087(4) -0.1968(3) 0.4503(2) 0.0345(9) Uani 1 1 d . . .
C10 C 0.8251(6) -0.1813(4) 0.3810(3) 0.0497(12) Uani 1 1 d . . .
H10 H 0.8239 -0.2251 0.3331 0.060 Uiso 1 1 calc R . .
C11 C 0.7436(6) -0.1007(4) 0.3835(3) 0.0510(12) Uani 1 1 d . . .
H11 H 0.6885 -0.0908 0.3366 0.061 Uiso 1 1 calc R . .
C12 C 0.9941(5) -0.2871(4) 0.4457(3) 0.0406(10) Uani 1 1 d . . .
C13 C 0.1741(7) 0.5284(4) 0.9531(3) 0.0662(16) Uani 1 1 d . . .
H13 H 0.1933 0.5767 1.0022 0.079 Uiso 1 1 calc R . .
C14 C 0.2130(6) 0.4268(4) 0.9484(3) 0.0577(14) Uani 1 1 d . . .
H14 H 0.2576 0.4075 0.9939 0.069 Uiso 1 1 calc R . .
C15 C 0.1862(4) 0.3537(3) 0.8768(2) 0.0344(9) Uani 1 1 d . . .
C16 C 0.1213(5) 0.3877(4) 0.8109(3) 0.0454(11) Uani 1 1 d . . .
H16 H 0.1005 0.3410 0.7610 0.054 Uiso 1 1 calc R . .
C17 C 0.0883(5) 0.4925(4) 0.8208(3) 0.0460(11) Uani 1 1 d . . .
H17 H 0.0487 0.5162 0.7764 0.055 Uiso 1 1 calc R . .
C18 C 0.2306(5) 0.2422(3) 0.8713(2) 0.0368(9) Uani 1 1 d . . .
C19 C -0.1304(5) 0.8729(4) 0.9792(3) 0.0442(10) Uani 1 1 d . . .
H19 H -0.0948 0.8417 1.0207 0.053 Uiso 1 1 calc R . .
C20 C -0.2061(5) 0.9557(4) 0.9919(3) 0.0423(10) Uani 1 1 d . . .
H20 H -0.2199 0.9803 1.0409 0.051 Uiso 1 1 calc R . .
C21 C -0.2613(4) 1.0017(3) 0.9302(2) 0.0371(9) Uani 1 1 d . . .
C22 C -0.2372(6) 0.9613(4) 0.8589(3) 0.0529(13) Uani 1 1 d . . .
H22 H -0.2742 0.9891 0.8159 0.063 Uiso 1 1 calc R . .
C23 C -0.1594(6) 0.8808(4) 0.8518(3) 0.0529(12) Uani 1 1 d . . .
H23 H -0.1424 0.8560 0.8037 0.063 Uiso 1 1 calc R . .
C24 C -0.3361(5) 1.0962(4) 0.9435(2) 0.0411(10) Uani 1 1 d . . .
C25 C 0.6713(5) 0.2652(3) 0.7335(2) 0.0366(9) Uani 1 1 d . . .
C26 C 0.7317(5) 0.3650(4) 0.7150(3) 0.0447(10) Uani 1 1 d . . .
H26 H 0.7844 0.3640 0.6774 0.054 Uiso 1 1 calc R . .
C27 C 0.7127(5) 0.4677(4) 0.7534(3) 0.0469(11) Uani 1 1 d . . .
H27 H 0.7536 0.5357 0.7419 0.056 Uiso 1 1 calc R . .
C28 C 0.6351(5) 0.4684(4) 0.8073(3) 0.0446(11) Uani 1 1 d . . .
C29 C 0.5761(6) 0.3706(4) 0.8264(3) 0.0568(13) Uani 1 1 d . . .
H29 H 0.5253 0.3726 0.8647 0.068 Uiso 1 1 calc R . .
C30 C 0.5927(6) 0.2679(4) 0.7882(3) 0.0540(12) Uani 1 1 d . . .
H30 H 0.5500 0.2004 0.7998 0.065 Uiso 1 1 calc R . .
C31 C 0.3144(4) 0.7465(3) 0.7777(2) 0.0358(9) Uani 1 1 d . . .
C32 C 0.3401(5) 0.6656(4) 0.7219(3) 0.0468(11) Uani 1 1 d . . .
H32 H 0.2894 0.6528 0.6692 0.056 Uiso 1 1 calc R . .
C33 C 0.4426(6) 0.6034(4) 0.7454(3) 0.0534(13) Uani 1 1 d . . .
H33 H 0.4595 0.5481 0.7085 0.064 Uiso 1 1 calc R . .
C34 C 0.5179(5) 0.6242(3) 0.8226(3) 0.0407(10) Uani 1 1 d . . .
C35 C 0.4915(5) 0.7033(4) 0.8789(2) 0.0411(10) Uani 1 1 d . . .
H35 H 0.5424 0.7156 0.9315 0.049 Uiso 1 1 calc R . .
C36 C 0.3880(5) 0.7639(4) 0.8559(2) 0.0408(10) Uani 1 1 d . . .
H36 H 0.3681 0.8165 0.8934 0.049 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
N1 Ag1 N2 173.38(14) . . ?
N1 Ag1 O6 89.46(12) . . ?
N2 Ag1 O6 90.89(12) . . ?
N6 Ag2 N5 164.50(16) . . ?
N6 Ag2 O4 101.52(13) . 2_577 ?
N5 Ag2 O4 87.02(13) . 2_577 ?
N6 Ag2 O11 90.64(12) . . ?
N5 Ag2 O11 96.74(13) . . ?
O4 Ag2 O11 118.11(14) 2_577 . ?
O7 S1 O6 113.8(3) . . ?
O7 S1 O8 112.5(2) . . ?
O6 S1 O8 112.0(3) . . ?
O7 S1 C25 106.4(2) . . ?
O6 S1 C25 105.67(19) . . ?
O8 S1 C25 105.7(2) . . ?
O9 S2 O10 113.6(2) . . ?
O9 S2 O11 112.4(2) . . ?
O10 S2 O11 111.3(2) . . ?
O9 S2 C31 107.4(2) . . ?
O10 S2 C31 106.56(19) . . ?
O11 S2 C31 104.9(2) . . ?
C1 N1 C5 118.1(3) . . ?
C1 N1 Ag1 121.4(3) . . ?
C5 N1 Ag1 120.4(3) . . ?
C11 N2 C7 118.9(3) . . ?
C11 N2 Ag1 119.2(3) . . ?
C7 N2 Ag1 121.9(3) . . ?
C6 N3 H3A 120.0 . . ?
C6 N3 H3B 120.0 . . ?
H3A N3 H3B 120.0 . . ?
C12 N4 H4A 120.0 . . ?
C12 N4 H4B 120.0 . . ?
H4A N4 H4B 120.0 . . ?
C17 N5 C13 117.7(4) . . ?
C17 N5 Ag2 120.3(3) . . ?
C13 N5 Ag2 121.9(3) . . ?
C19 N6 C23 117.2(4) . . ?
C19 N6 Ag2 120.6(3) . . ?
C23 N6 Ag2 122.0(3) . . ?
C18 N7 H7A 120.0 . . ?
C18 N7 H7B 120.0 . . ?
H7A N7 H7B 120.0 . . ?
C24 N8 H8A 120.0 . . ?
C24 N8 H8B 120.0 . . ?
H8A N8 H8B 120.0 . . ?
C24 O4 Ag2 141.3(3) . 2_577 ?
C34 O5 C28 119.7(3) . . ?
S1 O6 Ag1 167.7(2) . . ?
S2 O11 Ag2 114.36(17) . . ?
N1 C1 C2 122.2(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 119.7(4) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C4 C3 C2 117.9(4) . . ?
C4 C3 C6 118.4(4) . . ?
C2 C3 C6 123.7(4) . . ?
C5 C4 C3 119.6(4) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
N1 C5 C4 122.5(4) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
O1 C6 N3 123.5(4) . . ?
O1 C6 C3 119.1(4) . . ?
N3 C6 C3 117.4(4) . . ?
N2 C7 C8 122.3(4) . . ?
N2 C7 H7 118.9 . . ?
C8 C7 H7 118.9 . . ?
C7 C8 C9 119.0(4) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 117.9(3) . . ?
C10 C9 C12 118.5(4) . . ?
C8 C9 C12 123.6(4) . . ?
C11 C10 C9 119.7(4) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
N2 C11 C10 122.2(4) . . ?
N2 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
O2 C12 N4 123.0(4) . . ?
O2 C12 C9 119.9(4) . . ?
N4 C12 C9 117.1(4) . . ?
N5 C13 C14 122.4(5) . . ?
N5 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 117.4(4) . . ?
C14 C15 C18 120.4(4) . . ?
C16 C15 C18 122.2(4) . . ?
C17 C16 C15 118.6(4) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
N5 C17 C16 123.5(4) . . ?
N5 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
O3 C18 N7 123.9(4) . . ?
O3 C18 C15 118.4(4) . . ?
N7 C18 C15 117.6(3) . . ?
N6 C19 C20 123.3(4) . . ?
N6 C19 H19 118.3 . . ?
C20 C19 H19 118.3 . . ?
C19 C20 C21 118.8(4) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 H20 120.6 . . ?
C22 C21 C20 117.7(4) . . ?
C22 C21 C24 122.4(4) . . ?
C20 C21 C24 119.8(4) . . ?
C23 C22 C21 119.7(4) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
N6 C23 C22 123.2(4) . . ?
N6 C23 H23 118.4 . . ?
C22 C23 H23 118.4 . . ?
O4 C24 N8 121.5(4) . . ?
O4 C24 C21 121.0(4) . . ?
N8 C24 C21 117.4(4) . . ?
C30 C25 C26 119.8(4) . . ?
C30 C25 S1 120.5(3) . . ?
C26 C25 S1 119.7(3) . . ?
C25 C26 C27 119.1(4) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 121.2(4) . . ?
C27 C28 O5 120.9(4) . . ?
C29 C28 O5 117.4(4) . . ?
C28 C29 C30 119.3(5) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C25 C30 C29 120.5(5) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C36 C31 C32 120.1(4) . . ?
C36 C31 S2 118.9(3) . . ?
C32 C31 S2 120.8(3) . . ?
C31 C32 C33 119.5(4) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C34 C33 C32 119.7(4) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 121.4(4) . . ?
C33 C34 O5 124.6(4) . . ?
C35 C34 O5 114.0(4) . . ?
C34 C35 C36 119.0(4) . . ?
C34 C35 H35 120.5 . . ?
C36 C35 H35 120.5 . . ?
C31 C36 C35 120.3(4) . . ?
C31 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
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 2.184(3) . ?
Ag1 N2 2.187(3) . ?
Ag1 O6 2.666(3) . ?
Ag2 N6 2.171(3) . ?
Ag2 N5 2.182(3) . ?
Ag2 O4 2.573(4) 2_577 ?
Ag2 O11 2.749(4) . ?
S1 O7 1.436(3) . ?
S1 O6 1.437(4) . ?
S1 O8 1.451(4) . ?
S1 C25 1.786(4) . ?
S2 O9 1.434(4) . ?
S2 O10 1.453(3) . ?
S2 O11 1.462(4) . ?
S2 C31 1.775(4) . ?
N1 C1 1.328(6) . ?
N1 C5 1.347(5) . ?
N2 C11 1.333(6) . ?
N2 C7 1.337(5) . ?
N3 C6 1.327(5) . ?
N3 H3A 0.8600 . ?
N3 H3B 0.8600 . ?
N4 C12 1.317(5) . ?
N4 H4A 0.8600 . ?
N4 H4B 0.8600 . ?
N5 C17 1.317(6) . ?
N5 C13 1.333(6) . ?
N6 C19 1.329(6) . ?
N6 C23 1.341(6) . ?
N7 C18 1.322(5) . ?
N7 H7A 0.8600 . ?
N7 H7B 0.8600 . ?
N8 C24 1.322(6) . ?
N8 H8A 0.8600 . ?
N8 H8B 0.8600 . ?
O1 C6 1.227(5) . ?
O2 C12 1.237(5) . ?
O3 C18 1.228(5) . ?
O4 C24 1.216(6) . ?
O4 Ag2 2.573(4) 2_577 ?
O5 C34 1.394(5) . ?
O5 C28 1.402(5) . ?
C1 C2 1.387(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.381(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(6) . ?
C3 C6 1.514(5) . ?
C4 C5 1.376(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C7 C8 1.390(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.390(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.387(6) . ?
C9 C12 1.508(5) . ?
C10 C11 1.380(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C13 C14 1.372(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.372(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(5) . ?
C15 C18 1.514(5) . ?
C16 C17 1.383(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C19 C20 1.381(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.386(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.383(6) . ?
C21 C24 1.497(5) . ?
C22 C23 1.360(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C25 C30 1.368(6) . ?
C25 C26 1.379(6) . ?
C26 C27 1.398(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.349(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.359(7) . ?
C29 C30 1.386(6) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.379(6) . ?
C31 C32 1.387(5) . ?
C32 C33 1.396(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.362(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.382(6) . ?
C35 C36 1.387(5) . ?
C35 H35 0.9300 . ?
C36 H36 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
N3 H3A O2 0.86 2.10 2.938(4) 164.1 1_465
N3 H3B O11 0.86 2.12 2.958(5) 164.0 2_566
N4 H4A O1 0.86 2.04 2.894(4) 174.3 1_645
N4 H4B O9 0.86 2.10 2.911(5) 156.8 1_645
N7 H7A O10 0.86 2.16 3.020(5) 174.7 1_545
N7 H7B O7 0.86 2.00 2.836(5) 163.5 1_455
N8 H8A O3 0.86 2.02 2.881(5) 174.3 1_465
N8 H8B O10 0.86 2.34 2.987(5) 132.3 1_455
