Carbon-Carbon Bond-Forming Reductive Elimination from Isolated Nickel(III) Complexes.
Bour, James R.; Camasso, Nicole M.; Meucci, Elizabeth A.; Kampf, Jeff W.; Canty, Allan J.; Sanford, Melanie S.; Journal of the American Chemical Society 138 (2016) 16105–16111; doi:10.1021/jacs.6b10350

data_4131159
_publ_section_title
;
 Carbon-Carbon Bond-Forming Reductive Elimination from Isolated
 Nickel(III) Complexes.
;
_journal_issue                   49
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16105
_journal_page_last               16111
_journal_paper_doi               10.1021/jacs.6b10350
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C21 H18 B N6 Ni'
_chemical_formula_sum            'C21 H18 B N6 Ni'
_chemical_formula_weight         423.93
_space_group_crystal_system      orthorhombic
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_space_group_name_H-M_alt        'P b c a'
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_cell_length_c                   19.5957(2)
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_cell_measurement_theta_min      4.4720
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_computing_data_collection
'CrystalClear-SM Expert 2.0 r16 (Rigaku, 2014)'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.1019
_diffrn_reflns_av_unetI/netI     0.0386
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_diffrn_reflns_limit_l_min       -23
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_diffrn_source                   'micro-focus rotating anode'
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_exptl_absorpt_process_details
; 
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            yellow
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0734P)^2^+3.0234P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             3559
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.984
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_shelx_res_checksum              5138
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