Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine
Michael P. Shaver; Michael D. Fryzuk; Journal of the American Chemical Society 127 (2005) 500–501; doi:10.1021/ja043732q

data_4111382
_publ_section_title
;
 Cleavage of Hydrazine and 1,1-Dimethylhydrazine by Dinuclear Tantalum
 Hydrides: Formation of Imides, Nitrides, and N,N-Dimethylamine
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              500
_journal_page_last               501
_journal_paper_doi               10.1021/ja043732q
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C48 H62 N6 P2 Si4 Ta2'
_chemical_formula_sum            'C48 H62 N6 P2 Si4 Ta2'
_chemical_formula_weight         1259.24
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.216(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6976(11)
_cell_length_b                   19.4940(11)
_cell_length_c                   23.2595(15)
_cell_measurement_reflns_used    27122
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.04
_cell_volume                     5303.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_sigmaI/netI    0.1207
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9807
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    4.311
_exptl_absorpt_correction_T_max  0.6500
_exptl_absorpt_correction_T_min  0.5900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Tompa-analytical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       chip
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.239
_refine_diff_density_min         -3.673
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         9807
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0726P)^2^+65.1663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1651
_refine_ls_wR_factor_ref         0.1872
_reflns_number_gt                6701
_reflns_number_total             9807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja043732qsi20041130_072900.cif
_cod_data_source_block           mf509
_cod_database_code               4111382