Reactions of tetrathiotungstate and tetrathiomolybdate with substituted haloalkanes
Lang, Jian-Ping; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Journal of the Chemical Society, Dalton Transactions  (2002) 2573–; doi:10.1039/b106572f

data_7011000
_publ_section_title
;
 Reactions of tetrathiotungstate and tetrathiomolybdate with
 substituted haloalkanes
;
_journal_issue                   12
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2573
_journal_paper_doi               10.1039/b106572f
_journal_year                    2002
_chemical_formula_sum            'C30 H31 O2 P S4 W'
_chemical_formula_weight         766.64
_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'
_audit_creation_date             'Mon Mar 25 08:53:43 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 96.68(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.716(1)
_cell_length_b                   18.398(8)
_cell_length_c                   17.666(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      11.1
_cell_volume                     3136.4(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9993
_diffrn_measured_fraction_theta_max 0.9993
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5885
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        1.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.030
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.434
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         3658
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.5616
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00026|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0468
_reflns_number_gt                3658
_reflns_number_total             5535
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b106572f.txt
_cod_data_source_block           '[PPh4][WS3(S-C6H11O2)]'
_cod_original_cell_volume        3136(1)
_cod_original_formula_sum        'C30 H31 O2 P S4 W '
_cod_database_code               7011000