Bis(pyridine-2-thione)-2κ<i>S</i>;3κ<i>S</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>-dicoppermolybdenum Bis(dichloromethane) Solvate
Wang, Q.; Wu, X.; Huang, Q.; Sheng, T.; Acta Crystallographica Section C 52 (1996) 2738–2740; doi:10.1107/S0108270196008608

data_2005660
_publ_section_title
;Bis(pyridine-2-thione)-2\k<i>S</i>;3\k<i>S</i>-tetra-\m-sulfido-1:2\k^4^<i>S</i>;1:3\k^4^<i>S</i>-bis(triphenylphosphine)-2\k<i>P</i>;3\k<i>P</i>-dicoppermolybdenum
 Bis(dichloromethane) Solvate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2738
_journal_page_last               2740
_journal_paper_doi               10.1107/S0108270196008608
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac
'[Cu2 Mo S4 (C5 H5 N S)2 (C18 H15 P)2], 2CH2 Cl2'
_chemical_formula_moiety         'C48 H44 Cl4 Cu2 Mo N2 P2 S6'
_chemical_formula_sum            'C48 H44 Cl4 Cu2 Mo N2 P2 S6'
_chemical_formula_weight         1268.06
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 96.89(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.027(7)
_cell_length_b                   9.829(2)
_cell_length_c                   17.420(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     5444(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5249
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.51
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.71
_exptl_absorpt_correction_type   '\y scans (Fair, 1990)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.55
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.35
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         3213
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.051
_reflns_number_observed          3213
_reflns_number_total             5249
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1271.cif
_cod_data_source_block           wqm568
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2005660