Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of Weakly Coordinating Anions on Their Reactivity
Fandos, Rosa; Otero, Antonio; Rodríguez, Ana M.; Suizo, Sara; Organometallics 31 (2012) 1849–; doi:10.1021/om201199p

data_4076422
_publ_section_title
;
 Tantalum Complexes Supported by Asymmetric [ONO] Ligands. The Role of
 Weakly Coordinating Anions on Their Reactivity
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1849
_journal_paper_doi               10.1021/om201199p
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C26 H27 F3 N O6 S Ta'
_chemical_formula_weight         719.50
_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_H-M   'P c c n'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_a                   20.483(4)
_cell_length_b                   14.542(2)
_cell_length_c                   18.930(5)
_cell_measurement_reflns_used    932
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      15.899
_cell_measurement_theta_min      2.369
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      230(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_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  0.1163
_diffrn_reflns_av_sigmaI/netI    0.1259
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23912
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    4.032
_exptl_absorpt_correction_T_max  0.7386
_exptl_absorpt_correction_T_min  0.3247
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.182
_refine_diff_density_min         -1.192
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4821
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_refine_ls_restrained_S_all      0.869
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0664P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om201199p_si_001.cif
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_cod_original_cell_volume        5638(2)
_cod_original_sg_symbol_H-M      Pccn
_cod_database_code               4076422