Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their Use for the Synthesis of High Oxidation-State Silylene Complexes
Benjamin V. Mork; T. Don Tilley; Journal of the American Chemical Society 126 (2004) 4375–4385; doi:10.1021/ja030548g

data_4112382
_publ_section_title
;
 Synthons for Coordinatively Unsaturated Complexes of Tungsten, and Their
 Use for the Synthesis of High Oxidation-State Silylene Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4375
_journal_page_last               4385
_journal_paper_doi               10.1021/ja030548g
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C23 H39 Cl P2 Si W'
_chemical_formula_weight         624.15
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Fri Apr 11 08:09:39 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 115.650(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.2867(2)
_cell_length_b                   9.2357(2)
_cell_length_c                   17.8766(4)
_cell_measurement_reflns_used    4954
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      4.0
_cell_volume                     2572.83(9)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.052d'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      142
_diffrn_measurement_device       SMART
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
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_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    4.778
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.57
_refine_diff_density_min         -2.45
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.626
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         2889
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0847
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
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_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0599
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_reflns_threshold_expression     I>3.00sigma
_cod_data_source_file            ja030548g_c2_2.cif
_cod_data_source_block           compound6b
_cod_original_cell_volume        2572.83(8)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C23 H39 Cl P2 Si W '
_cod_database_code               4112382