The reactions of dialkylgallium hydrides with tert-butylethynylbenzenes‒a systematic investigation into the course of hydrogallation reactions.
Uhl, Werner; Claesener, Michael; Haddadpour, Sima; Jasper, Beate; Hepp, Alexander; Dalton transactions (Cambridge, England : 2003)  (2007) 417–423; doi:10.1039/b614003c

data_7004960
_publ_section_title
;
 The reactions of dialkylgallium hydrides with
 tert-butylethynylbenzenes--a systematic investigation into the course
 of hydrogallation reactions.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              417
_journal_page_last               423
_journal_paper_doi               10.1039/b614003c
_journal_year                    2007
_chemical_formula_sum            'C57 H88 Ga3'
_chemical_formula_weight         982.43
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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                104.047(5)
_cell_angle_beta                 107.164(5)
_cell_angle_gamma                94.608(5)
_cell_formula_units_Z            2
_cell_length_a                   12.417(5)
_cell_length_b                   15.300(5)
_cell_length_c                   15.668(5)
_cell_measurement_reflns_used    'all measured'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      31.48
_cell_measurement_theta_min      1.39
_cell_volume                     2721.7(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32469
_diffrn_reflns_theta_full        31.48
_diffrn_reflns_theta_max         31.48
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.507
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.1846
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1046
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.691
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.978
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         16302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.978
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0577
_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^)+(0.0632P)^2^+0.2645P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1243
_refine_ls_wR_factor_ref         0.1386
_reflns_number_gt                11376
_reflns_number_total             16302
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614003c.txt
_cod_data_source_block           Uhl-2a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7004960