Synthesis and Structure of a Base-stabilized Silyl(silylene)tantalum Complex
Hidenori Koshikawa; Masaaki Okazaki; Shun-ichi Matsumoto; Keiji Ueno; Hiromi Tobita; Hiroshi Ogino; Chemistry Letters 34 (2005) 1412–; doi:10.1246/cl.2005.1412

data_8000068
_publ_section_title
;
 Synthesis and Structure of a Base-stabilized Silyl(silylene)tantalum
 Complex
;
_journal_issue                   10
_journal_name_full               'Chemistry Letters'
_journal_page_first              1412
_journal_paper_doi               10.1246/cl.2005.1412
_journal_volume                  34
_journal_year                    2005
_chemical_formula_moiety         'C15 H25 O Si2 Ta'
_chemical_formula_sum            'C15 H25 O Si2 Ta'
_chemical_formula_weight         468.56
_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
_cell_angle_beta                 102.482(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.090(1)
_cell_length_b                   13.081(2)
_cell_length_c                   17.396(2)
_cell_measurement_reflns_used    15968
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      26.8
_cell_measurement_theta_min      1.2
_cell_volume                     1797.4(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_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_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9541
_diffrn_measured_fraction_theta_max 0.9541
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12703
_diffrn_reflns_theta_full        26.88
_diffrn_reflns_theta_max         26.88
_exptl_absorpt_coefficient_mu    6.233
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.02
_refine_diff_density_min         -1.55
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.213
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3704
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.0069
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.04900(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0882
_reflns_number_gt                3209
_reflns_number_total             3704
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_depositor_comments
;
 Correcting the _chemical_formula_sum and _chemical_formula_moiety data
 item values by changing them from 'C15 H35 O Si2 Ta' to 'C15 H25 O Si2 Ta'
 after consulting the original publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_original_formula_sum        'C15 H35 O Si2 Ta '
_cod_database_code               8000068