Insertion Reactions in Ta‒H and Ta‒Me Bonds in Complexes Containing Tridentate κ3O,S,O-Type Ligands
Fernández-Gallardo, Jacob; Bajo, Ángel; Fandos, Rosa; Otero, Antonio; Rodr\?íguez, Ana; Ruiz, María José; Organometallics 32 (2013) 1752–; doi:10.1021/om3011728

data_4080393
_publ_section_title
;
 Insertion Reactions in Ta--H and Ta--Me Bonds in Complexes Containing
 Tridentate \k3O,S,O-Type Ligands
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1752
_journal_paper_doi               10.1021/om3011728
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C16 H23 F6 O8 S3 Ta'
_chemical_formula_sum            'C16 H23 F6 O8 S3 Ta'
_chemical_formula_weight         734.47
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.953(5)
_cell_angle_beta                 82.566(4)
_cell_angle_gamma                73.729(4)
_cell_formula_units_Z            2
_cell_length_a                   8.8889(18)
_cell_length_b                   9.8859(19)
_cell_length_c                   14.654(3)
_cell_measurement_temperature    230(2)
_cell_volume                     1223.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0782
_diffrn_reflns_av_sigmaI/netI    0.1418
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7241
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    4.831
_exptl_absorpt_correction_T_max  0.4605
_exptl_absorpt_correction_T_min  0.2611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.021
_refine_diff_density_min         -1.301
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         4227
_refine_ls_number_restraints     270
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.1213
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0675P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1305
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                2497
_reflns_number_total             4227
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3011728_si_002.cif
_cod_data_source_block           4
_cod_original_cell_volume        1224.0(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4080393