Volatility and High Thermal Stability in Tantalum Complexes Containing Imido, Amidinate, and Halide or Dialkylamide Ligands
Wiedmann, Monika K.; Heeg, Mary Jane; Winter, Charles H.; Inorganic chemistry 48 (2009) 5382–5391; doi:10.1021/ic900454g

data_4302375
_publ_section_title
;
 Volatility and High Thermal Stability in Tantalum Complexes Containing
 Imido, Amidinate, and Halide or Dialkylamide Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5382
_journal_page_last               5391
_journal_paper_doi               10.1021/ic900454g
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C24 H51 Br N5 Ta'
_chemical_formula_weight         670.56
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_symmetry_cell_setting           monoclinic
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_cell_angle_beta                 94.221(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8983(4)
_cell_length_b                   16.3458(6)
_cell_length_c                   15.0157(5)
_cell_measurement_reflns_used    8362
_cell_measurement_temperature    100(2)
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_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXL-97
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX2 kappa'
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_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_number            68661
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_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    5.165
_exptl_absorpt_correction_T_max  0.4921
_exptl_absorpt_correction_T_min  0.3470
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1997'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+6.9762P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                6469
_reflns_number_total             7255
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4338663
_cod_data_source_file            ic900454g_si_001_1.cif
_cod_data_source_block           pabr
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4302375