Poly[(μ~3~-<i>N</i>,<i>N</i>-dibenzyldithiocarbamato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>:<i>S</i>')silver(I)]
Xia Yin; Mu-Biao Xie; Wei-Guang Zhang; Jun Fan; Acta Crystallographica Section E 63 (2007) m2273–m2273; doi:10.1107/S1600536807035180

data_2215302
_publ_section_title
Poly[(\m~3~-<i>N</i>,<i>N</i>-dibenzyldithiocarbamato-\k^4^<i>S</i>,<i>S</i>':<i>S</i>:<i>S</i>')silver(I)]
_journal_coeditor_code           XU2287
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2273
_journal_page_last               m2273
_journal_paper_doi               10.1107/S1600536807035180
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C15 H14 N S2)]'
_chemical_formula_moiety         'C15 H14 Ag N S2'
_chemical_formula_sum            'C15 H14 Ag N S2'
_chemical_formula_weight         380.26
_chemical_melting_point          .491E-305
_chemical_name_systematic
;
Poly[(\m~3~-N,N-dibenzyldithiocarbamato-\k^4^S,S':S:S')silver(I)]
;
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   15.6505(19)
_cell_length_b                   15.6505(19)
_cell_length_c                   5.0120(14)
_cell_measurement_reflns_used    2450
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.4
_cell_volume                     1063.2(3)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'APEX2 (Bruker, YEAR?)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.094
_diffrn_reflns_av_sigmaI/netI    0.101
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            7409
_diffrn_reflns_theta_full        25.2
_diffrn_reflns_theta_max         25.2
_diffrn_reflns_theta_min         1.5
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.700
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.41
_refine_ls_abs_structure_details 'Flack (1983), with 1227 Friedel pairs'
_refine_ls_abs_structure_Flack   0.07(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2500
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.099
_refine_ls_R_factor_gt           0.045
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.065
_refine_ls_wR_factor_ref         0.080
_reflns_number_gt                1519
_reflns_number_total             2500
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu2287.cif
_cod_data_source_block           I
_cod_database_code               2215302
_cod_database_fobs_code          2215302