Controlling First-Row Catalysts: Amination of Aryl and Heteroaryl Chlorides and Bromides with Primary Aliphatic Amines Catalyzed by a BINAP-Ligated Single-Component Ni(0) Complex.
Ge, Shaozhong; Green, Rebecca A.; Hartwig, John F.; Journal of the American Chemical Society 136 (2014) 1617–1627; doi:10.1021/ja411911s

data_4120479
_publ_section_title
;
 Controlling First-Row Catalysts: Amination of Aryl and Heteroaryl
 Chlorides and Bromides with Primary Aliphatic Amines Catalyzed by a
 BINAP-Ligated Single-Component Ni(0) Complex.
;
_journal_issue                   4
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1617
_journal_page_last               1627
_journal_paper_doi               10.1021/ja411911s
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C55 H47 Cl Ni O2 P2'
_chemical_formula_weight         896.02
_chemical_name_common            SGE6-192
_chemical_name_systematic
;
 hartwig20
;
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_secondary   difmap
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_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_max         68.211
_diffrn_reflns_theta_min         2.930
_diffrn_source                   'microfocus rotating anode'
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  0.753
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7842
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_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1084P)^2^+4.3884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelxl_version_number           2013-4
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