Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance C-H Amination Efficacy.
Baek, Yunjung; Hennessy, Elisabeth T.; Betley, Theodore A.; Journal of the American Chemical Society 141 (2019) 16944–16953; doi:10.1021/jacs.9b09015

data_4127964
_publ_section_title
;
 Direct Manipulation of Metal Imido Geometry: Key Principles to Enhance
 C-H Amination Efficacy.
;
_journal_issue                   42
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16944
_journal_page_last               16953
_journal_paper_doi               10.1021/jacs.9b09015
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C66 H60 Co N3'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                90
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_cell_length_c                   23.012(5)
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type
;
Bruker D8 goniometer with CCD area detector
;
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         1.770
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_exptl_absorpt_process_details   SADABS
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8688
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_refine_ls_R_factor_all          0.1380
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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^)+(0.0248P)^2^+30.5954P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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