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_4072474
_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         'C16 H22 Cl3 N2 Si Ta '
_chemical_formula_sum            'C16 H22 Cl3 N2 Si Ta'
_chemical_formula_weight         557.76
_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                 95.475(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.515(2)
_cell_length_b                   13.757(3)
_cell_length_c                   15.565(2)
_cell_measurement_reflns_used    11575
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2028.1(7)
_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 0.9255
_diffrn_measured_fraction_theta_max 0.9255
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       &#x00B4;w
_diffrn_radiation_type           'Mo K&#x00B4;a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.134
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11205
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.865
_exptl_absorpt_correction_T_max  0.378
_exptl_absorpt_correction_T_min  0.221
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.536
_exptl_crystal_size_mid          0.423
_exptl_crystal_size_min          0.243
_refine_diff_density_max         3.52
_refine_diff_density_min         -3.81
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.908
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     193
_refine_ls_number_reflns         4300
_refine_ls_R_factor_gt           0.0932
_refine_ls_shift/su_max          0.0091
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[&#x00B4;s^2^(Fo^2^) + (0.08000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2580
_reflns_number_gt                3482
_reflns_number_total             4310
_reflns_threshold_expression     F^2^>2.0&#x00B4;s(F^2^)
_cod_data_source_file            om060659zsi20060721_085422.cif
_cod_data_source_block           pyridine
_cod_original_formula_sum        'C16 H22 Cl3 N2 Si Ta '
_cod_database_code               4072474