Transformations of aryl isothiocyanates on tetraphosphine tungsten complexes and reactivity of the resulting dithiocarbonimidate ligand.
Dai, Qi Xiu; Seino, Hidetake; Mizobe, Yasushi; Dalton transactions (Cambridge, England : 2003) 40 (2011) 11822–11830; doi:10.1039/c1dt11201e

data_7017371
_publ_section_title
;
 Transformations of aryl isothiocyanates on tetraphosphine tungsten
 complexes and reactivity of the resulting dithiocarbonimidate ligand.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11822
_journal_page_last               11830
_journal_paper_doi               10.1039/c1dt11201e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C65 H63 Cl4 I N2 P4 S2 W '
_chemical_formula_sum            'C65 H63 Cl4 I N2 P4 S2 W'
_chemical_formula_weight         1512.81
_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             2009-08-06
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.0979(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.357(3)
_cell_length_b                   11.468(2)
_cell_length_c                   32.634(6)
_cell_measurement_reflns_used    15629
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     6300.2(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      113.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            62047
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    2.705
_exptl_absorpt_correction_T_max  0.582
_exptl_absorpt_correction_T_min  0.328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3016.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         4.85
_refine_diff_density_min         -2.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     778
_refine_ls_number_reflns         14995
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.0017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 0.7500\s(Fo^2^) + 0.0800]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1541
_reflns_number_gt                11714
_reflns_number_total             14995
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1dt11201e.txt
_cod_data_source_block           '__[W(S2CNMeTol)(CNTol)(P4)]I_2CH2Cl2'
_cod_original_cell_volume        6300(2)
_cod_original_formula_sum        'C65 H63 Cl4 I N2 P4 S2 W '
_cod_database_code               7017371