Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.
Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14211–14214; doi:10.1039/c4dt00933a

data_7031360
_publ_section_title
;
 Synthesis and molecular structure of an abnormal carbene-gallium chloride
 complex.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14211
_journal_page_last               14214
_journal_paper_doi               10.1039/c4dt00933a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C31 H44 Cl3 Ga N2 O'
_chemical_formula_weight         636.75
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_cell_angle_gamma                90
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.27
_cell_volume                     6881.5(6)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX-II CCD'
_diffrn_measurement_method       'OMEGA SCAN'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.7454
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            colorless
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_refine_ls_number_reflns         7085
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_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0826
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0642P)^2^+4.3720P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7085
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7031359--7031361.cif.'
_cod_database_code               7031360
_shelx_estimated_absorpt_t_min   0.778
_shelx_estimated_absorpt_t_max   0.911
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