Synthesis and Characterization of an Air-Stable Gallium Hydride, [t-Bu(H)Ga(μ-NEt2)]2, and Related Chloride Derivatives
Luke Grocholl; Scott A. Cullison; Jianjun Wang; Dale C. Swenson; Edward G. Gillan; Inorganic Chemistry 41 (2002) 2920–2926; doi:10.1021/ic011278a

data_4318027
_publ_section_title
;
 Synthesis and Characterization of an Air-Stable Gallium Hydride,
 [t-Bu(H)Ga(\m-NEt2)]2, and Related Chloride Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2920
_journal_page_last               2926
_journal_paper_doi               10.1021/ic011278a
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         'C16 H38 Cl2 Ga2 N2'
_chemical_formula_sum            'C16 H38 Cl2 Ga2 N2'
_chemical_formula_weight         468.82
_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                85.4870(10)
_cell_angle_beta                 73.7860(10)
_cell_angle_gamma                69.1810(10)
_cell_formula_units_Z            1
_cell_length_a                   7.6330(2)
_cell_length_b                   8.9281(2)
_cell_length_c                   9.0960(2)
_cell_measurement_reflns_used    1842
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      30.5
_cell_measurement_theta_min      1.0
_cell_volume                     556.21(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV 1997 - 2000)'
_computing_data_reduction        'HKL Denzo (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      190(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0128
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4348
_diffrn_reflns_theta_full        30.59
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    2.661
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             244
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.421
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_reflns         3125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0082P)^2^+0.2421P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0509
_reflns_number_gt                2885
_reflns_number_total             3125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011278a_2.cif
_cod_data_source_block           (2)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4318027