Tri-<i>tert</i>-butylgallane‒(<i>tert</i>-butyl)diethylstibine adduct
Schuchmann, Daniella; Schulz, Stephan; Flörke, Ulrich; Acta Crystallographica Section E 63 (2007) m1606–m1606; doi:10.1107/S1600536807021149

data_2213688
_publ_section_title
;
 Tri-<i>tert</i>-butylgallane--(<i>tert</i>-butyl)diethylstibine adduct
;
_journal_coeditor_code           BT2352
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1606
_journal_page_last               m1606
_journal_paper_doi               10.1107/S1600536807021149
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ga Sb (C2 H5)2 (C4 H9)4]'
_chemical_formula_moiety         'C20 H46 Ga Sb'
_chemical_formula_sum            'C20 H46 Ga Sb'
_chemical_formula_weight         478.04
_chemical_name_common
;
Tri-<i>tert</i>-butylgallane--(<i>tert</i>-butyl)diethylstibine adduct
;
_chemical_name_systematic
;
tri-<i>tert</i>-butyldiethylgalliumantimony(Ga---Sb)
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.479(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1138(16)
_cell_length_b                   23.698(4)
_cell_length_c                   11.027(2)
_cell_measurement_reflns_used    986
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.69
_cell_measurement_theta_min      2.51
_cell_volume                     2380.8(7)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2002)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0822
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20988
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  430
_diffrn_standards_number         1488
_exptl_absorpt_coefficient_mu    2.265
_exptl_absorpt_correction_T_max  0.6993
_exptl_absorpt_correction_T_min  0.6235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.953
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         5684
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0303P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0740
_reflns_number_gt                4418
_reflns_number_total             5684
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2352.cif
_cod_data_source_block           I
_cod_original_cell_volume        2380.7(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2213688
_cod_database_fobs_code          2213688