Controlling the Framework Formation of Silver(I) Coordination Polymers with 1,4-Bis(phenylthio)butane by Varying the Solvents, Metal-to-Ligand Ratio, and Counteranions
Xian-He Bu; Wei Chen; Wen-Feng Hou; Miao Du; Ruo-Hua Zhang; Francois Brisse; Inorganic Chemistry 41 (2002) 3477–3482; doi:10.1021/ic0113045

data_4318141
_publ_section_title
;
 Controlling the Framework Formation of Silver(I) Coordination Polymers
 with 1,4-Bis(phenylthio)butane by Varying the Solvents, Metal-to-Ligand
 Ratio, and Counteranions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3477
_journal_page_last               3482
_journal_paper_doi               10.1021/ic0113045
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C49 H57 Ag2 Cl2 N0 O9 S6'
_chemical_formula_weight         1269.95
_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                74.977(2)
_cell_angle_beta                 69.030(2)
_cell_angle_gamma                69.986(2)
_cell_formula_units_Z            2
_cell_length_a                   11.9147(13)
_cell_length_b                   16.1534(17)
_cell_length_c                   16.2259(17)
_cell_measurement_temperature    298(2)
_cell_volume                     2706.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11321
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_T_max  0.8092
_exptl_absorpt_correction_T_min  0.7696
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         9543
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1102
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          1.486
_refine_ls_shift/su_mean         0.041
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1474
_reflns_number_gt                5357
_reflns_number_total             9543
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0113045_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318141