(IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations (IP = α-Iminopyridine)
Chelsea D. Cates; Thomas W. Myers; Louise A. Berben; Inorganic Chemistry 51 (2012) 11891–11897; doi:10.1021/ic301792w

data_4330935
_publ_section_title
;
 (IP)2GaIII Complexes Facilitate Net Two-Electron Redox Transformations
 (IP = \a-Iminopyridine)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11891
_journal_page_last               11897
_journal_paper_doi               10.1021/ic301792w
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C45 H62 Ga N5 O'
_chemical_formula_weight         758.72
_chemical_name_systematic
; 
 ? 
;
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_cell_length_b                   11.2958(4)
_cell_length_c                   17.2739(6)
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_cell_measurement_theta_max      28.54
_cell_measurement_theta_min      2.54
_cell_volume                     2049.96(12)
_computing_cell_refinement       'Bruker Duo'
_computing_data_collection       'Bruker Duo'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Bruker Shelxtl'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.896
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0215
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_max         72.19
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_exptl_absorpt_correction_T_max  0.9968
_exptl_absorpt_correction_T_min  0.9686
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.19
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7243
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_refine_ls_R_factor_all          0.0449
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_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^)+(0.0637P)^2^+1.3702P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1145
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                6859
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301792w_si_002_3.cif
_cod_data_source_block           twm111
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