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_4075187
_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         'C18 H24 O2 Si W '
_chemical_formula_sum            'C18 H24 O2 Si W'
_chemical_formula_weight         484.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.597(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.5362(18)
_cell_length_b                   15.006(3)
_cell_length_c                   14.409(3)
_cell_measurement_reflns_used    6875
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.7
_cell_volume                     1845.0(7)
_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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16214
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.40
_exptl_absorpt_coefficient_mu    6.337
_exptl_absorpt_correction_T_max  0.531
_exptl_absorpt_correction_T_min  0.335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.47
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4015
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0003Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0670
_reflns_number_gt                3568
_reflns_number_total             4015
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060101rsi20060201_115927.cif
_cod_data_source_block           '__complex8b'
_cod_original_formula_sum        'C18 H24 O2 Si W '
_cod_database_code               4075187