A Homogeneous Gallium(III) Compound Selectively Catalyzes the Epoxidation of Alkenes
Wenchan Jiang; John D. Gorden; Christian R. Goldsmith; Inorganic Chemistry 51 (2012) 2725–2727; doi:10.1021/ic300159a

data_4328600
_publ_section_title
;
 A Homogeneous Gallium(III) Compound Selectively Catalyzes the Epoxidation
 of Alkenes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2725
_journal_page_last               2727
_journal_paper_doi               10.1021/ic300159a
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety
'2(C24 H16 Cl2 Ga N4), C2 H3 N, 2(H2 O), 2(Cl)'
_chemical_formula_sum            'C50 H39 Cl6 Ga2 N9 O2'
_chemical_formula_weight         1150.04
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           60
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_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
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_cell_angle_gamma                90
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_cell_length_b                   23.275(2)
_cell_length_c                   16.5439(15)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     4904.8(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '0.3 wide w/ exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_av_unetI/netI     0.0428
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.477
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_description       fragment
_exptl_crystal_F_000             2328
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_refine_diff_density_max         0.725
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_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
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_refine_ls_shift/su_max          0
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+2.6354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300159a_si_001.cif
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_cod_database_code               4328600