Catalytic transfer hydrogenation of azobenzene by low-valent nickel complexes: a route to 1,2-disubstituted benzimidazoles and 2,4,5-trisubstituted imidazolines.
Zurita, Daniel A.; Flores-Alamo, Marcos; García, Juventino J; Dalton transactions (Cambridge, England : 2003) 45 (2016) 10389–10401; doi:10.1039/c6dt01674j

data_7040203
_publ_section_title
;
 Catalytic transfer hydrogenation of azobenzene by low-valent nickel
 complexes: a route to 1,2-disubstituted benzimidazoles and
 2,4,5-trisubstituted imidazolines.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10389
_journal_page_last               10401
_journal_paper_doi               10.1039/c6dt01674j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C26 H40 F2 N2 Ni P2'
_chemical_formula_sum            'C26 H40 F2 N2 Ni P2'
_chemical_formula_weight         539.25
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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2016-04-19 deposited with the CCDC.
2016-05-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.3740(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   16.5550(3)
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        CrysAlisPro, Agilent Technologies,
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
        (compiled Aug  2 2013,16:46:58)
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_orient_matrix_UB_13      -0.0335543
_diffrn_orient_matrix_UB_21      0.068083
_diffrn_orient_matrix_UB_22      -0.0831267
_diffrn_orient_matrix_UB_23      -0.0147747
_diffrn_orient_matrix_UB_31      -0.0631691
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_point_group_measured_fraction_max 0.988
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        CrysAlisPro, Agilent Technologies,
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Analytical numeric absorption correction using a multifaceted crystal
                        model based on expressions derived by R.C. Clark & J.S.
        (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_description       prism
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.3048
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.344
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+0.9556P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0841
_reflns_Friedel_coverage         0
_reflns_number_gt                5077
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01674j2.cif
_cod_data_source_block           II-dz3
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7040203