Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2
Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi; Inorganic Chemistry 41 (2002) 513–520; doi:10.1021/ic010921q

data_4317510
_publ_contact_author_address
;
      Research Center for Materials Science, Nagoya University,
      Furo-cho, Chikusa-ku, Nagoya 464-8602, Japan
;
_publ_contact_author_email       ' i45100a@nucc.ccnagoya-u.ac.jp '
_publ_contact_author_fax         ' 81-52-789-2943 '
_publ_contact_author_name        ' Kazuyuki Tatsumi'
_publ_contact_author_phone       ' 81-52-789-2474 '
_publ_section_title
;
 Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands:
 Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and
 [Fe(CH3CN)6](ClO4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              513
_journal_page_last               520
_journal_paper_doi               10.1021/ic010921q
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         "'C42 H43 Br Cu2 N P3 S4 W "
_chemical_formula_sum            'C42 H43 Br Cu2 N P3 S4 W'
_chemical_formula_weight         1173.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.7941(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.845(1)
_cell_length_b                   10.0916(1)
_cell_length_c                   25.6060(6)
_cell_measurement_reflns_used    24662
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     4513.9(3)
_computing_cell_refinement       d*TREK
_computing_data_collection       d*TREK
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measurement_device_type  'Quantum CCD/Rigaku AFC7'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            9862
_diffrn_reflns_theta_max         27.5
_exptl_absorpt_coefficient_mu    4.689
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.80
_refine_diff_density_min         -1.93
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.585
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6519
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00031|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0488
_reflns_number_gt                6519
_reflns_number_total             9862
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic010921q_3.cif
_cod_data_source_block           (dmsp)WS3Cu2(PPh3)2Br.CH3CN
_cod_original_cell_volume        4513.9(2)
_cod_original_formula_sum        'C42 H43 Br Cu2 N P3 S4 W '
_cod_database_code               4317510