A heterocyclic organogallium peroxide with two dialkylgallium groups bridged by a peroxide dianion.
Uhl, Werner; Halvagar, Mohammad Reza; Layh, Marcus; Chemical communications (Cambridge, England) 34 (2009) 4269–4271; doi:10.1039/b906392g

data_7104615
_publ_section_title
;
 A heterocyclic organogallium peroxide with two dialkylgallium groups
 bridged by a peroxide dianion.
;
_journal_issue                   28
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4269
_journal_page_last               4271
_journal_paper_doi               10.1039/b906392g
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C34 H89 Ga2 Li N2 O3 Si8'
_chemical_formula_weight         945.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 116.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.537(5)
_cell_length_b                   11.602(2)
_cell_length_c                   22.586(5)
_cell_measurement_reflns_used    4428
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.750
_cell_measurement_theta_min      2.458
_cell_volume                     5275.5(18)
_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      153(2)
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_sigmaI/netI    0.0976
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            30166
_diffrn_reflns_theta_full        31.40
_diffrn_reflns_theta_max         31.40
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    1.233
_exptl_absorpt_correction_T_max  0.9523
_exptl_absorpt_correction_T_min  0.8561
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.373
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     553
_refine_ls_number_reflns         15235
_refine_ls_number_restraints     333
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.1305
_refine_ls_R_factor_gt           0.0797
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.2039
_reflns_number_gt                9638
_reflns_number_total             15235
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906392g.txt
_cod_data_source_block           sad1
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7104615