<i>catena</i>-Poly[[silver(I)-μ~3~-2,2'-[<i>o</i>-phenylenebis(methylenethio)]dianiline-κ^4^<i>N</i>:<i>S</i>,<i>S</i>':<i>N</i>'] nitrate chloroform solvate]
Zheng, Yan; Wang, Shu-Li; Acta Crystallographica Section C 60 (2004) m278–m279; doi:10.1107/S0108270104009473

data_2014040
_publ_section_title
;<i>catena</i>-Poly[[silver(I)-\m~3~-2,2'-[<i>o</i>-phenylenebis(methylenethio)]dianiline-\k^4^<i>N</i>:<i>S</i>,<i>S</i>':<i>N</i>']
 nitrate chloroform solvate]
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m278
_journal_page_last               m279
_journal_paper_doi               10.1107/S0108270104009473
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag (C20 H20 N2 S2)] (N O3) , C H Cl3'
_chemical_formula_moiety         'C20 H20 Ag N2 S2 + , N O3 - , C H Cl3'
_chemical_formula_sum            'C21 H21 Ag Cl3 N3 O3 S2'
_chemical_formula_weight         641.75
_chemical_name_systematic
;
catena-Poly[[silver(I)-\m~3~-2,2'-[o-phenylenebis(methylenethio)]dianiline-
\k^4^N:S,S':N'] nitrate chloroform solvate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.385(11)
_cell_angle_beta                 98.580(12)
_cell_angle_gamma                101.351(11)
_cell_formula_units_Z            2
_cell_length_a                   9.441(6)
_cell_length_b                   9.805(6)
_cell_length_c                   13.936(9)
_cell_measurement_reflns_used    865
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.56
_cell_measurement_theta_min      2.28
_cell_volume                     1210.4(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5074
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  0.772
_exptl_absorpt_correction_T_min  0.685
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'via multi-scan [SADABS (Sheldrick, 1996; Blessing, 1995)]'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.199
_refine_diff_density_min         -0.650
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4269
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.1042
_refine_ls_R_factor_gt           0.0528
_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/[\s^2^(Fo^2^)+(0.0802P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1522
_reflns_number_gt                2561
_reflns_number_total             4269
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na1660.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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               2014040
_cod_database_fobs_code          2014040