Gallium and Indium Hydrazides. Molecular and Electronic Structure of In[N(SiMe3)NMe2]3 and Related Compounds
Bing Luo; Christopher J. Cramer; Wayne L. Gladfelter; Inorganic Chemistry 42 (2003) 3431–3437; doi:10.1021/ic020693f

data_4313678
_publ_section_title
;
 Gallium and Indium Hydrazides. Molecular and Electronic Structure of
 In[N(SiMe3)NMe2]3 and Related Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3431
_journal_page_last               3437
_journal_paper_doi               10.1021/ic020693f
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C15 H45 In N6 Si3'
_chemical_formula_weight         508.66
_chemical_name_common            In[N(TMS)NMe2]3
_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                73.644(1)
_cell_angle_beta                 72.307(1)
_cell_angle_gamma                73.312(1)
_cell_formula_units_Z            4
_cell_length_a                   14.426(1)
_cell_length_b                   14.546(1)
_cell_length_c                   14.695(1)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    173(2)
_cell_volume                     2749.5(3)
_computing_cell_refinement       Saint
_computing_data_collection       'Smart, Siemens'
_computing_data_reduction        Saint
_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      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Smart CCD, Siemens'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0225
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27879
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    1.001
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.840452
_exptl_absorpt_correction_type   'Sadabs, G. Sheldrick (1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         12207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+0.8671P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0588
_reflns_number_gt                10441
_reflns_number_total             12207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020693f_s1.cif
_cod_data_source_block           00007i_for_In[N(TMS)NMe2]3
_cod_original_cell_volume        2749.6(4)
_cod_database_code               4313678