Ga2I2[C(SiMe3)3]2 ‒ an organogallium(ii) halide containing a Ga‒Ga single bond
Uhl, Werner; El-Hamdan, Abdelhakim; Prött, Malte; Spuhler, Philipp; Frenking, Gernot; Dalton Transactions  (2003) 1360–; doi:10.1039/b212144c

data_7012568
_publ_section_title
;
 Ga2I2[C(SiMe3)3]2 -- an organogallium(ii) halide containing a Ga--Ga
 single bond
;
_journal_issue                   7
_journal_name_full               'Dalton Transactions'
_journal_page_first              1360
_journal_paper_doi               10.1039/b212144c
_journal_year                    2003
_chemical_formula_sum            'C20 H54 Ga2 I2 Si6'
_chemical_formula_weight         856.41
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 96.950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3080(10)
_cell_length_b                   15.405(2)
_cell_length_c                   25.564(3)
_cell_measurement_temperature    193(2)
_cell_volume                     3638.7(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'area detector'
_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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            3145
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         24.96
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    3.384
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.88
_exptl_crystal_size_mid          0.71
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.078
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         3069
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0663P)^2^+12.9042P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1163
_reflns_number_gt                2330
_reflns_number_total             3069
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b212144c.txt
_cod_data_source_block           ga2i2
_cod_original_cell_volume        3638.7(7)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7012568