Reactions of a Triazacyclononane-Supported Tantalum−Lithium Bridging Alkylidene with Organic Substrates
Schmidt, Joseph A. R.; Arnold, John; Organometallics 21 (2002) 3426–; doi:10.1021/om020175c

data_4076880
_publ_section_title
;
 Reactions of a Triazacyclononane-Supported Tantalum&#x2212;Lithium
 Bridging Alkylidene with Organic Substrates
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3426
_journal_paper_doi               10.1021/om020175c
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C40 H71 N4 O Si2 Ta '
_chemical_formula_sum            'C40 H71 N4 O Si2 Ta'
_chemical_formula_weight         861.15
_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'
_audit_creation_date             'Thu Feb 21 13:19:31 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                79.567(3)
_cell_angle_beta                 80.290(4)
_cell_angle_gamma                67.108(3)
_cell_formula_units_Z            2
_cell_length_a                   10.345(2)
_cell_length_b                   10.809(2)
_cell_length_c                   21.829(5)
_cell_measurement_reflns_used    4037
_cell_measurement_temperature    156.2
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      3.0
_cell_volume                     2198.4(8)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.052d'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      156.2
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0696
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10049
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.5
_exptl_absorpt_coefficient_mu    2.583
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.447
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_description       plate
_exptl_crystal_F_000             896.00
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.040
_refine_diff_density_max         6.27
_refine_diff_density_min         -4.53
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4439
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1392
_refine_ls_R_factor_gt           0.1093
_refine_ls_shift/su_max          4.4140
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1644
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1540
_reflns_number_gt                4439
_reflns_number_total             6151
_reflns_threshold_expression     I>3.00sigma
_cod_data_source_file            om020175c.cif
_cod_data_source_block
(Me3SiCH2)(ArN=)(iPr2-tacn)(Me3SiCH=C(Tol)O)Ta_10
_cod_original_cell_volume        2198.3(8)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C40 H71 N4 O Si2 Ta '
_cod_database_code               4076880