#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:28:07 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179580 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/45/4504546.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_4504546
loop_
_publ_author_name
'Li, Fang-Fang'
'Ma, Jian-Fang'
'Song, Shu-Yan'
'Yang, Jin'
'Jia, Heng-Qing'
'Hu, Ning-Hai'
_publ_section_title
;
 Syntheses, Structures, and Characterizations of Four New Silver(I)
 Sulfonate Coordination Polymers with Neutral Ligands
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              209
_journal_paper_doi               10.1021/cg050293d
_journal_volume                  6
_journal_year                    2006
_chemical_formula_moiety         'C27 H35 Ag2 N8 O8 S'
_chemical_formula_sum            'C27 H35 Ag2 N8 O8 S'
_chemical_formula_weight         847.43
_chemical_melting_point          ?
_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                102.609(5)
_cell_angle_beta                 107.015(5)
_cell_angle_gamma                103.530(5)
_cell_formula_units_Z            2
_cell_length_a                   10.174(5)
_cell_length_b                   12.353(5)
_cell_length_c                   14.723(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1636.4(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT software (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator
'graphite diffrn_measurement_device_type Bruker SMART APEX CCD'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0445
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9291
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.320
_exptl_absorpt_correction_T_max  0.538
_exptl_absorpt_correction_T_min  0.430
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             854
_exptl_crystal_size_max          0.182
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.068
_refine_diff_density_max         0.415
_refine_diff_density_min         -0.672
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         6303
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.929
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0360
_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)+(0.0386P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                4409
_reflns_number_total             6303
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg050293dsi20050627_103555.cif
_cod_data_source_block           compound-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4504546
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
C1 C 0.2038(3) 0.3996(3) 0.1958(3) 0.0532(8) Uani 1 1 d .
C2 C 0.1938(4) 0.2971(3) 0.1285(3) 0.0602(9) Uani 1 1 d .
H43 H 0.2529 0.2996 0.0908 0.072 Uiso 1 1 calc R
C3 C 0.0973(3) 0.1917(3) 0.1171(2) 0.0524(8) Uani 1 1 d .
H35 H 0.0919 0.1237 0.0719 0.063 Uiso 1 1 calc R
C4 C 0.0082(3) 0.1865(2) 0.1724(2) 0.0412(7) Uani 1 1 d .
C5 C 0.0202(3) 0.2875(2) 0.2408(2) 0.0466(7) Uani 1 1 d .
H11 H -0.0378 0.2838 0.2793 0.056 Uiso 1 1 calc R
C6 C 0.1167(3) 0.3948(3) 0.2539(2) 0.0480(8) Uani 1 1 d .
C7 C 0.1285(5) 0.5050(3) 0.3288(3) 0.0677(11) Uani 1 1 d .
C8 C 0.4062(4) 0.0997(3) 0.5017(3) 0.0638(10) Uani 1 1 d .
H52 H 0.4234 0.0763 0.5588 0.077 Uiso 1 1 calc R
C9 C 0.2985(4) 0.1227(3) 0.3630(3) 0.0579(9) Uani 1 1 d .
H37 H 0.2265 0.1199 0.3056 0.069 Uiso 1 1 calc R
C10 C 0.5077(4) 0.1657(3) 0.4786(3) 0.0643(10) Uani 1 1 d .
H47 H 0.6064 0.1971 0.5164 0.077 Uiso 1 1 calc R
C11 C 0.5057(4) 0.2525(3) 0.3380(3) 0.0591(9) Uani 1 1 d .
H32A H 0.4401 0.2340 0.2699 0.071 Uiso 1 1 calc R
H32B H 0.5944 0.2375 0.3360 0.071 Uiso 1 1 calc R
C12 C 0.5390(4) 0.3796(3) 0.3931(3) 0.0587(9) Uani 1 1 d .
H25A H 0.6003 0.3956 0.4620 0.070 Uiso 1 1 calc R
H25B H 0.4490 0.3934 0.3933 0.070 Uiso 1 1 calc R
C13 C 0.6138(4) 0.4654(3) 0.3497(3) 0.0573(9) Uani 1 1 d .
H26A H 0.7042 0.4531 0.3487 0.069 Uiso 1 1 calc R
H26B H 0.5523 0.4534 0.2817 0.069 Uiso 1 1 calc R
C14 C 0.6431(4) 0.5875(3) 0.4135(3) 0.0678(10) Uani 1 1 d .
H34A H 0.5519 0.5970 0.4157 0.081 Uiso 1 1 calc R
H34B H 0.7045 0.5977 0.4810 0.081 Uiso 1 1 calc R
C15 C 0.8479(4) 0.7508(3) 0.4235(3) 0.0589(9) Uani 1 1 d .
H33A H 0.9145 0.7470 0.4805 0.071 Uiso 1 1 calc R
C16 C 0.7512(4) 0.8024(3) 0.2983(3) 0.0575(9) Uani 1 1 d .
H36A H 0.7383 0.8421 0.2512 0.069 Uiso 1 1 calc R
C17 C 0.6486(4) 0.7111(3) 0.2984(3) 0.0620(9) Uani 1 1 d .
H14A H 0.5538 0.6769 0.2530 0.074 Uiso 1 1 calc R
C18 C 0.1924(4) -0.1111(3) 0.1301(3) 0.0569(9) Uani 1 1 d .
H46 H 0.1164 -0.0989 0.0846 0.068 Uiso 1 1 calc R
C19 C 0.4036(4) -0.1036(3) 0.2172(3) 0.0679(10) Uani 1 1 d .
H40 H 0.5040 -0.0844 0.2441 0.081 Uiso 1 1 calc R
C20 C 0.3099(4) -0.1740(3) 0.2440(3) 0.0688(11) Uani 1 1 d .
H29 H 0.3328 -0.2124 0.2913 0.083 Uiso 1 1 calc R
C21 C 0.0364(4) -0.2477(3) 0.1883(3) 0.0609(9) Uani 1 1 d .
H23A H -0.0355 -0.2091 0.1698 0.073 Uiso 1 1 calc R
H23B H 0.0483 -0.2520 0.2551 0.073 Uiso 1 1 calc R
C22 C -0.0166(3) -0.3696(3) 0.1167(3) 0.0504(8) Uani 1 1 d .
H17A H 0.0576 -0.4064 0.1340 0.061 Uiso 1 1 calc R
H17B H -0.0305 -0.3645 0.0499 0.061 Uiso 1 1 calc R
C23 C -0.1573(3) -0.4468(3) 0.1159(3) 0.0534(8) Uani 1 1 d .
H16A H -0.1457 -0.4525 0.1822 0.064 Uiso 1 1 calc R
H16B H -0.2341 -0.4132 0.0957 0.064 Uiso 1 1 calc R
C24 C -0.1966(3) -0.5674(3) 0.0431(3) 0.0563(9) Uani 1 1 d .
H31A H -0.1998 -0.5593 -0.0215 0.068 Uiso 1 1 calc R
H31B H -0.1206 -0.6010 0.0660 0.068 Uiso 1 1 calc R
C25 C -0.3557(4) -0.7367(3) 0.0689(3) 0.0569(9) Uani 1 1 d .
H48A H -0.2810 -0.7526 0.1122 0.068 Uiso 1 1 calc R
C26 C -0.5654(4) -0.7466(3) -0.0240(3) 0.0604(9) Uani 1 1 d .
H41A H -0.6652 -0.7710 -0.0577 0.073 Uiso 1 1 calc R
C27 C -0.4693(4) -0.6548(3) -0.0289(3) 0.0599(9) Uani 1 1 d .
H28A H -0.4901 -0.6049 -0.0660 0.072 Uiso 1 1 calc R
N1 N -0.3360(3) -0.6488(2) 0.03083(19) 0.0485(6) Uani 1 1 d .
N2 N -0.4937(3) -0.7985(2) 0.0380(2) 0.0551(7) Uani 1 1 d .
N3 N 0.3303(3) -0.0644(2) 0.1449(2) 0.0558(7) Uani 1 1 d .
N4 N 0.1752(3) -0.1780(2) 0.1885(2) 0.0518(7) Uani 1 1 d .
N5 N 0.4387(3) 0.1783(2) 0.3887(2) 0.0522(7) Uani 1 1 d .
N6 N 0.2743(3) 0.0717(2) 0.4294(2) 0.0578(7) Uani 1 1 d .
N7 N 0.8762(3) 0.8283(2) 0.3767(2) 0.0566(7) Uani 1 1 d .
N8 N 0.7125(3) 0.6792(2) 0.3788(2) 0.0544(7) Uani 1 1 d .
O1 O 0.2216(3) 0.5987(2) 0.3359(2) 0.0816(8) Uani 1 1 d .
O2 O 0.0481(4) 0.4990(2) 0.3774(2) 0.1150(13) Uani 1 1 d .
O3 O 0.2969(2) 0.5040(2) 0.2051(2) 0.0728(7) Uani 1 1 d .
O4 O -0.2494(3) 0.0738(2) 0.1557(2) 0.0895(9) Uani 1 1 d .
O5 O -0.0568(3) 0.0170(3) 0.2421(2) 0.1265(14) Uani 1 1 d .
O6 O -0.1326(3) -0.0274(2) 0.0668(2) 0.1084(11) Uani 1 1 d .
OW1 O 0.1084(3) 0.6608(2) 0.5541(2) 0.0793(8) Uani 1 1 d D
OW2 O 0.2094(4) -0.0946(3) 0.6041(3) 0.0969(10) Uani 1 1 d D
S3 S -0.11780(9) 0.05164(6) 0.15789(6) 0.0482(2) Uani 1 1 d .
Ag1 Ag 0.41518(3) 0.05366(2) 0.07611(2) 0.07084(12) Uani 1 1 d .
Ag2 Ag 0.07446(3) -0.03996(2) 0.41638(2) 0.07270(12) Uani 1 1 d .
H1A H 0.100(5) 0.621(3) 0.4952(19) 0.109 Uiso 1 1 d D
H1B H 0.051(4) 0.619(3) 0.575(3) 0.109 Uiso 1 1 d D
H2A H 0.197(5) -0.1677(19) 0.598(3) 0.109 Uiso 1 1 d D
H2B H 0.141(4) -0.093(4) 0.624(3) 0.109 Uiso 1 1 d 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
O3 C1 C2 120.5(3) . .
O3 C1 C6 120.1(3) . .
C2 C1 C6 119.3(3) . .
C3 C2 C1 120.7(3) . .
C3 C2 H43 119.6 . .
C1 C2 H43 119.6 . .
C2 C3 C4 120.3(3) . .
C2 C3 H35 119.8 . .
C4 C3 H35 119.8 . .
C5 C4 C3 119.1(3) . .
C5 C4 S3 119.9(2) . .
C3 C4 S3 121.0(2) . .
C4 C5 C6 121.7(3) . .
C4 C5 H11 119.2 . .
C6 C5 H11 119.2 . .
C5 C6 C1 118.8(3) . .
C5 C6 C7 121.2(3) . .
C1 C6 C7 120.0(3) . .
O2 C7 O1 124.9(4) . .
O2 C7 C6 118.8(3) . .
O1 C7 C6 116.3(4) . .
C10 C8 N6 109.9(3) . .
C10 C8 H52 125.1 . .
N6 C8 H52 125.1 . .
N6 C9 N5 111.4(3) . .
N6 C9 H37 124.3 . .
N5 C9 H37 124.3 . .
C8 C10 N5 106.7(3) . .
C8 C10 H47 126.6 . .
N5 C10 H47 126.6 . .
N5 C11 C12 109.7(3) . .
N5 C11 H32A 109.7 . .
C12 C11 H32A 109.7 . .
N5 C11 H32B 109.7 . .
C12 C11 H32B 109.7 . .
H32A C11 H32B 108.2 . .
C11 C12 C13 114.6(3) . .
C11 C12 H25A 108.6 . .
C13 C12 H25A 108.6 . .
C11 C12 H25B 108.6 . .
C13 C12 H25B 108.6 . .
H25A C12 H25B 107.6 . .
C14 C13 C12 108.4(3) . .
C14 C13 H26A 110.0 . .
C12 C13 H26A 110.0 . .
C14 C13 H26B 110.0 . .
C12 C13 H26B 110.0 . .
H26A C13 H26B 108.4 . .
N8 C14 C13 114.2(3) . .
N8 C14 H34A 108.7 . .
C13 C14 H34A 108.7 . .
N8 C14 H34B 108.7 . .
C13 C14 H34B 108.7 . .
H34A C14 H34B 107.6 . .
N7 C15 N8 111.4(3) . .
N7 C15 H33A 124.3 . .
N8 C15 H33A 124.3 . .
C17 C16 N7 110.4(3) . .
C17 C16 H36A 124.8 . .
N7 C16 H36A 124.8 . .
C16 C17 N8 105.7(3) . .
C16 C17 H14A 127.1 . .
N8 C17 H14A 127.1 . .
N3 C18 N4 111.7(3) . .
N3 C18 H46 124.2 . .
N4 C18 H46 124.2 . .
C20 C19 N3 110.1(3) . .
C20 C19 H40 124.9 . .
N3 C19 H40 124.9 . .
C19 C20 N4 106.5(3) . .
C19 C20 H29 126.8 . .
N4 C20 H29 126.8 . .
N4 C21 C22 111.7(3) . .
N4 C21 H23A 109.3 . .
C22 C21 H23A 109.3 . .
N4 C21 H23B 109.3 . .
C22 C21 H23B 109.3 . .
H23A C21 H23B 107.9 . .
C21 C22 C23 114.0(3) . .
C21 C22 H17A 108.7 . .
C23 C22 H17A 108.7 . .
C21 C22 H17B 108.8 . .
C23 C22 H17B 108.7 . .
H17A C22 H17B 107.6 . .
C24 C23 C22 108.8(3) . .
C24 C23 H16A 109.9 . .
C22 C23 H16A 109.9 . .
C24 C23 H16B 109.9 . .
C22 C23 H16B 109.9 . .
H16A C23 H16B 108.3 . .
N1 C24 C23 114.1(3) . .
N1 C24 H31A 108.7 . .
C23 C24 H31A 108.7 . .
N1 C24 H31B 108.7 . .
C23 C24 H31B 108.7 . .
H31A C24 H31B 107.6 . .
N2 C25 N1 111.9(3) . .
N2 C25 H48A 124.1 . .
N1 C25 H48A 124.1 . .
C27 C26 N2 109.4(3) . .
C27 C26 H41A 125.3 . .
N2 C26 H41A 125.3 . .
C26 C27 N1 106.9(3) . .
C26 C27 H28A 126.6 . .
N1 C27 H28A 126.6 . .
C25 N1 C27 106.7(3) . .
C25 N1 C24 126.8(3) . .
C27 N1 C24 126.3(3) . .
C25 N2 C26 105.2(3) . .
C25 N2 Ag1 127.5(2) . 1_445
C26 N2 Ag1 127.4(2) . 1_445
C18 N3 C19 104.9(3) . .
C18 N3 Ag1 126.5(2) . .
C19 N3 Ag1 128.5(2) . .
C18 N4 C20 106.8(3) . .
C18 N4 C21 126.3(3) . .
C20 N4 C21 126.8(3) . .
C9 N5 C10 106.6(3) . .
C9 N5 C11 127.0(3) . .
C10 N5 C11 125.9(3) . .
C9 N6 C8 105.3(3) . .
C9 N6 Ag2 126.1(2) . .
C8 N6 Ag2 128.3(2) . .
C15 N7 C16 105.0(3) . .
C15 N7 Ag2 126.5(2) . 1_665
C16 N7 Ag2 128.5(2) . 1_665
C15 N8 C17 107.5(3) . .
C15 N8 C14 125.8(3) . .
C17 N8 C14 126.5(3) . .
H1A OW1 H1B 109(4) . .
H2A OW2 H2B 94(4) . .
O5 S3 O4 111.8(2) . .
O5 S3 O6 112.6(2) . .
O4 S3 O6 112.5(2) . .
O5 S3 C4 106.19(15) . .
O4 S3 C4 106.89(14) . .
O6 S3 C4 106.35(15) . .
N3 Ag1 N2 166.59(11) . 1_665
N6 Ag2 N7 168.46(11) . 1_445
N6 Ag2 Ag2 118.86(8) . 2_556
N7 Ag2 Ag2 72.65(8) 1_445 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O3 1.361(4) .
C1 C2 1.388(5) .
C1 C6 1.401(4) .
C2 C3 1.377(4) .
C2 H43 0.9300 .
C3 C4 1.385(4) .
C3 H35 0.9300 .
C4 C5 1.376(4) .
C4 S3 1.775(3) .
C5 C6 1.389(4) .
C5 H11 0.9300 .
C6 C7 1.507(5) .
C7 O2 1.235(5) .
C7 O1 1.274(4) .
C8 C10 1.333(4) .
C8 N6 1.357(4) .
C8 H52 0.9300 .
C9 N6 1.323(4) .
C9 N5 1.327(4) .
C9 H37 0.9300 .
C10 N5 1.366(4) .
C10 H47 0.9300 .
C11 N5 1.472(4) .
C11 C12 1.508(5) .
C11 H32A 0.9700 .
C11 H32B 0.9700 .
C12 C13 1.521(4) .
C12 H25A 0.9700 .
C12 H25B 0.9700 .
C13 C14 1.501(5) .
C13 H26A 0.9700 .
C13 H26B 0.9700 .
C14 N8 1.459(4) .
C14 H34A 0.9700 .
C14 H34B 0.9700 .
C15 N7 1.323(4) .
C15 N8 1.326(4) .
C15 H33A 0.9300 .
C16 C17 1.347(4) .
C16 N7 1.357(4) .
C16 H36A 0.9300 .
C17 N8 1.361(4) .
C17 H14A 0.9300 .
C18 N3 1.317(4) .
C18 N4 1.336(4) .
C18 H46 0.9300 .
C19 C20 1.343(4) .
C19 N3 1.361(4) .
C19 H40 0.9300 .
C20 N4 1.357(4) .
C20 H29 0.9300 .
C21 N4 1.470(4) .
C21 C22 1.505(4) .
C21 H23A 0.9700 .
C21 H23B 0.9700 .
C22 C23 1.518(4) .
C22 H17A 0.9700 .
C22 H17B 0.9700 .
C23 C24 1.517(4) .
C23 H16A 0.9700 .
C23 H16B 0.9700 .
C24 N1 1.470(4) .
C24 H31A 0.9700 .
C24 H31B 0.9700 .
C25 N2 1.317(4) .
C25 N1 1.327(4) .
C25 H48A 0.9300 .
C26 C27 1.343(4) .
C26 N2 1.364(4) .
C26 H41A 0.9300 .
C27 N1 1.358(4) .
C27 H28A 0.9300 .
N2 Ag1 2.114(3) 1_445
N3 Ag1 2.113(3) .
N6 Ag2 2.102(3) .
N7 Ag2 2.102(3) 1_665
O4 S3 1.420(3) .
O5 S3 1.418(3) .
O6 S3 1.420(3) .
OW1 H1A 0.869(19) .
OW1 H1B 0.858(19) .
OW2 H2A 0.863(19) .
OW2 H2B 0.834(19) .
Ag1 N2 2.114(3) 1_665
Ag2 N7 2.102(3) 1_445
Ag2 Ag2 3.3399(11) 2_556
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
OW1 H1A O2 0.869(19) 1.87(2) 2.714(4) 163(4) .
OW1 H1B O2 0.858(19) 1.95(2) 2.789(4) 166(4) 2_566
OW2 H2A OW1 0.863(19) 1.97(2) 2.804(4) 162(4) 1_545
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_4
O3 C1 C2 C3 -178.4(3) .
C6 C1 C2 C3 1.4(5) .
C1 C2 C3 C4 0.2(5) .
C2 C3 C4 C5 -1.7(5) .
C2 C3 C4 S3 179.5(2) .
C3 C4 C5 C6 1.7(4) .
S3 C4 C5 C6 -179.5(2) .
C4 C5 C6 C1 -0.1(4) .
C4 C5 C6 C7 179.7(3) .
O3 C1 C6 C5 178.4(3) .
C2 C1 C6 C5 -1.4(5) .
O3 C1 C6 C7 -1.5(5) .
C2 C1 C6 C7 178.7(3) .
C5 C6 C7 O2 -1.5(5) .
C1 C6 C7 O2 178.3(4) .
C5 C6 C7 O1 179.2(3) .
C1 C6 C7 O1 -1.0(5) .
N6 C8 C10 N5 -1.0(4) .
N5 C11 C12 C13 177.9(3) .
C11 C12 C13 C14 -178.6(3) .
C12 C13 C14 N8 -178.9(3) .
N7 C16 C17 N8 -0.4(4) .
N3 C19 C20 N4 -0.8(4) .
N4 C21 C22 C23 178.1(3) .
C21 C22 C23 C24 -178.5(3) .
C22 C23 C24 N1 -176.5(3) .
N2 C26 C27 N1 -0.1(4) .
N2 C25 N1 C27 -0.5(4) .
N2 C25 N1 C24 -175.3(3) .
C26 C27 N1 C25 0.3(4) .
C26 C27 N1 C24 175.2(3) .
C23 C24 N1 C25 -104.3(4) .
C23 C24 N1 C27 81.8(4) .
N1 C25 N2 C26 0.4(4) .
N1 C25 N2 Ag1 -179.7(2) 1_445
C27 C26 N2 C25 -0.2(4) .
C27 C26 N2 Ag1 179.9(2) 1_445
N4 C18 N3 C19 -0.5(4) .
N4 C18 N3 Ag1 -177.1(2) .
C20 C19 N3 C18 0.8(4) .
C20 C19 N3 Ag1 177.3(3) .
N3 C18 N4 C20 0.0(4) .
N3 C18 N4 C21 -176.9(3) .
C19 C20 N4 C18 0.4(4) .
C19 C20 N4 C21 177.4(3) .
C22 C21 N4 C18 90.0(4) .
C22 C21 N4 C20 -86.3(4) .
N6 C9 N5 C10 -2.2(4) .
N6 C9 N5 C11 -174.7(3) .
C8 C10 N5 C9 1.9(4) .
C8 C10 N5 C11 174.5(3) .
C12 C11 N5 C9 99.8(4) .
C12 C11 N5 C10 -71.2(4) .
N5 C9 N6 C8 1.6(4) .
N5 C9 N6 Ag2 -173.7(2) .
C10 C8 N6 C9 -0.3(4) .
C10 C8 N6 Ag2 174.9(2) .
N8 C15 N7 C16 -0.4(4) .
N8 C15 N7 Ag2 -179.6(2) 1_665
C17 C16 N7 C15 0.5(4) .
C17 C16 N7 Ag2 179.7(2) 1_665
N7 C15 N8 C17 0.1(4) .
N7 C15 N8 C14 -176.6(3) .
C16 C17 N8 C15 0.2(4) .
C16 C17 N8 C14 176.9(3) .
C13 C14 N8 C15 -110.0(4) .
C13 C14 N8 C17 73.9(4) .
C5 C4 S3 O5 -74.9(3) .
C3 C4 S3 O5 103.8(3) .
C5 C4 S3 O4 44.5(3) .
C3 C4 S3 O4 -136.7(3) .
C5 C4 S3 O6 164.9(3) .
C3 C4 S3 O6 -16.3(3) .
C18 N3 Ag1 N2 95.6(5) 1_665
C19 N3 Ag1 N2 -80.2(6) 1_665
C9 N6 Ag2 N7 57.0(7) 1_445
C8 N6 Ag2 N7 -117.2(5) 1_445
C9 N6 Ag2 Ag2 -118.2(3) 2_556
C8 N6 Ag2 Ag2 67.6(3) 2_556
