A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]
Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Acta Crystallographica Section C 53 (1997) 1220–1221; doi:10.1107/S0108270196014710

data_2006511
_publ_section_title
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 A Linear Cluster with Mixed Ligands, [WCu~2~S~4~(tpt)~2~(PPh~3~)~2~]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1220
_journal_page_last               1221
_journal_paper_doi               10.1107/S0108270196014710
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Cu2 W S4 (C4 H8 N2 S)2 (C18 H15 P)2]'
_chemical_formula_moiety         'Cu2 W S4 (C4 H8 N2 S)2 (C18 H15 P)2'
_chemical_formula_sum            'C44 H46 Cu2 N4 P2 S6 W'
_chemical_formula_weight         1196.15
_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                 106.710(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.427(2)
_cell_length_b                   10.021(5)
_cell_length_c                   28.639(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      6
_cell_volume                     4790(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            8944
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.68
_exptl_absorpt_correction_T_max  0.479
_exptl_absorpt_correction_T_min  0.196
_exptl_absorpt_correction_type   'empirical via \y scans (Fair, 1990)'
_exptl_crystal_colour            red--orange
_exptl_crystal_density_diffrn    1.66
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.08
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.04
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     267
_refine_ls_number_reflns         2511
_refine_ls_R_factor_obs          .0368
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0374
_reflns_number_observed          2511
_reflns_number_total             4477
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            kh1106.cif
_cod_data_source_block           wqm511a
_cod_original_cell_volume        4790.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2006511