Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.
Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen; Dalton transactions (Cambridge, England : 2003) 47 (2018) 15293–15297; doi:10.1039/c8dt03477j

data_7047727
_publ_section_title
;
 Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H
 oxidation: extension of the galactose oxidase mechanism in water-mediated
 amide formation.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15293
_journal_page_last               15297
_journal_paper_doi               10.1039/c8dt03477j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C28 H33 N3 Ni O2'
_chemical_formula_sum            'C28 H33 N3 Ni O2'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
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_audit_update_record
;
2018-02-24 deposited with the CCDC.
2018-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'Oxford Sapphire CCD'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_crystal_density_diffrn    1.315
_exptl_crystal_description       plate
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
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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^)+(0.0462P)^2^+0.8716P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4538
_reflns_number_total             5500
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7047724--7047728.cif.'
_cod_database_code               7047727
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