Olefination and group transfer reactions of an electron deficient tantalum methylidene complex.
Mullins, Sarah M.; Bergman, Robert G.; Arnold, John; Dalton transactions (Cambridge, England : 2003)  (2006) 203–212; doi:10.1039/b512741f

data_7006669
_publ_section_title
;
 Olefination and group transfer reactions of an electron deficient
 tantalum methylidene complex.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              203
_journal_page_last               212
_journal_paper_doi               10.1039/b512741f
_journal_year                    2006
_chemical_formula_moiety         'C39 H64 N5 Si4 Ta '
_chemical_formula_sum            'C39 H64 N5 Si4 Ta'
_chemical_formula_weight         896.26
_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'
_audit_creation_date             'Wed Sep 28 15:49:12 2005'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 111.041(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.9014(4)
_cell_length_b                   11.6015(2)
_cell_length_c                   23.0038(5)
_cell_measurement_reflns_used    7933
_cell_measurement_temperature    170.2
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      2.5
_cell_volume                     4458.95(16)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SAPI91
_diffrn_measured_fraction_theta_full 0.8969
_diffrn_measured_fraction_theta_max 0.8969
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21557
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.600
_exptl_absorpt_correction_T_max  0.636
_exptl_absorpt_correction_T_min  0.517
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocklike
_exptl_crystal_F_000             1848.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.838
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     442
_refine_ls_number_reflns         4578
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.0023
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0430
_refine_ls_wR_factor_ref         0.0316
_reflns_number_gt                4578
_reflns_number_total             7890
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b512741f.txt
_cod_data_source_block           tantalum_ketenimine
_cod_original_cell_volume        4459.0(2)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C39 H64 N5 Si4 Ta '
_cod_database_code               7006669