Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)
Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu; Organometallics 25 (2006) 5145–; doi:10.1021/om060101r

data_4075186
_publ_section_title
;
 Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl
 Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5145
_journal_paper_doi               10.1021/om060101r
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C24 H28 O2 Si W '
_chemical_formula_sum            'C24 H28 O2 Si W'
_chemical_formula_weight         560.42
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.631(9)
_cell_angle_beta                 87.934(11)
_cell_angle_gamma                76.153(9)
_cell_formula_units_Z            2
_cell_length_a                   10.086(3)
_cell_length_b                   10.642(3)
_cell_length_c                   11.511(3)
_cell_measurement_reflns_used    5026
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      4.3
_cell_volume                     1156.2(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.016
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10440
_diffrn_reflns_theta_full        27.2
_diffrn_reflns_theta_max         27.2
_exptl_absorpt_coefficient_mu    5.068
_exptl_absorpt_correction_T_max  0.468
_exptl_absorpt_correction_T_min  0.393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             552.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.09
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4934
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0005Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0580
_reflns_number_gt                4781
_reflns_number_total             5149
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060101rsi20060201_115927.cif
_cod_data_source_block           '__complex7a'
_cod_original_cell_volume        1156.2(5)
_cod_original_formula_sum        'C24 H28 O2 Si W '
_cod_database_code               4075186