Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum: Mechanistic Investigation and Its Application in the Preparation of New Tantalum Complexes Having Functional Alkynes (PhC⋮CR (R = COOMe, CONMe2))
Oshiki, Toshiyuki; Yamada, Atsushi; Kawai, Kimio; Arimitsu, Hirotaka; Takai, Kazuhiko; Organometallics 26 (2007) 173–; doi:10.1021/om060659z

data_4072472
_publ_section_title
;
 Alkyne Exchange Reactions of Silylalkyne Complexes of Tantalum:&#x00A0;
 Mechanistic Investigation and Its Application in the Preparation of New
 Tantalum Complexes Having Functional Alkynes (PhC&#x22EE;CR (R = COOMe,
 CONMe2))
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              173
_journal_paper_doi               10.1021/om060659z
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C12 H28 Cl3 O2 Si2 Ta '
_chemical_formula_sum            'C12 H28 Cl3 O2 Si2 Ta'
_chemical_formula_weight         547.83
_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'
_cell_angle_alpha                90
_cell_angle_beta                 96.084(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.981(4)
_cell_length_b                   7.099(1)
_cell_length_c                   18.389(5)
_cell_measurement_reflns_used    13002
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.7
_cell_volume                     2074.5(8)
_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9571
_diffrn_measured_fraction_theta_max 0.9571
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       w
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14802
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.790
_exptl_absorpt_correction_T_max  0.578
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.170
_refine_diff_density_max         4.62
_refine_diff_density_min         -4.01
_refine_ls_extinction_coef       0.0007(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.547
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     182
_refine_ls_number_reflns         4548
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                4072
_reflns_number_total             4548
_reflns_threshold_expression     F^2^>2.0s(F^2^)
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_cod_data_source_block           kawai
_cod_original_cell_volume        2074.5(9)
_cod_original_formula_sum        'C12 H28 Cl3 O2 Si2 Ta '
_cod_database_code               4072472