Bis(μ-4,6-dimethylpyrimidine-2-thiolato)-κ^3^<i>N</i>,<i>S</i>:<i>S</i>;κ^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-κ<i>P</i>)silver(I)]
Wattanakanjana, Yupa; Pakawatchai, Chaveng; Kowittheeraphong, Sukanya; Nimthong, Ruthairat; Acta Crystallographica Section E 68 (2012) m1572–m1573; doi:10.1107/S1600536812048210

data_2236813
_publ_section_title
;
 Bis(\m-4,6-dimethylpyrimidine-2-thiolato)-\k^3^<i>N</i>,<i>S</i>:<i>S</i>;\k^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-\k<i>P</i>)silver(I)]
;
_journal_coeditor_code           BH2464
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1572
_journal_page_last               m1573
_journal_paper_doi               10.1107/S1600536812048210
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag2 (C6 H7 N2 S)2 (C18 H15 P)2]'
_chemical_formula_moiety         'C48 H44 Ag2 N4 P2 S2'
_chemical_formula_sum            'C48 H44 Ag2 N4 P2 S2'
_chemical_formula_weight         1018.67
_chemical_name_systematic
;
Bis(\m-4,6-dimethylpyrimidine-2-thiolato)-\k^3^<i>N</i>,<i>S</i>:<i>S</i>;
\k^3^<i>S</i>:<i>N</i>,<i>S</i>-bis[(triphenylphosphane-\k<i>P</i>)silver(I)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 97.4830(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.7050(5)
_cell_length_b                   15.3084(7)
_cell_length_c                   12.5331(6)
_cell_measurement_reflns_used    8845
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.303
_cell_measurement_theta_min      2.202
_cell_volume                     2226.62(18)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    '<i>Mercury</i> (Macrae <i>et al.</i>, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       '\f and \w 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  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0194
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26686
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    1.083
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.289
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.088
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.287
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     266
_refine_ls_number_reflns         5568
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+0.8969P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0884
_reflns_number_gt                4798
_reflns_number_total             5568
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2464.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2236813
_cod_database_fobs_code          2236813