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_4072475
_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 H34 Cl3 O2 Si Ta '
_chemical_formula_sum            'C16 H34 Cl3 O2 Si Ta'
_chemical_formula_weight         573.84
_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                94.342(6)
_cell_angle_beta                 90.295(4)
_cell_angle_gamma                116.00(1)
_cell_formula_units_Z            2
_cell_length_a                   7.6198(4)
_cell_length_b                   8.0430(3)
_cell_length_c                   20.365(2)
_cell_measurement_reflns_used    3474
_cell_measurement_temperature    150.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.9
_cell_volume                     1117.53(16)
_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 0.8392
_diffrn_measured_fraction_theta_max 0.8392
_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  0.032
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7900
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    5.328
_exptl_absorpt_correction_T_max  0.311
_exptl_absorpt_correction_T_min  0.185
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.705
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.590
_exptl_crystal_size_mid          0.470
_exptl_crystal_size_min          0.310
_refine_diff_density_max         2.83
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.949
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     203
_refine_ls_number_reflns         4279
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.0050
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[&#x00B4;s^2^(Fo^2^) + (0.09500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1959
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_reflns_threshold_expression     F^2^>2.0&#x00B4;s(F^2^)
_cod_data_source_file            om060659zsi20060721_085422.cif
_cod_data_source_block           050426a
_cod_original_cell_volume        1117.5(2)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C16 H34 Cl3 O2 Si Ta '
_cod_database_code               4072475