Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation.
Mondal, Aditesh; Reddy, Kiran P.; Bertke, Jeffery A.; Kundu, Subrata; Journal of the American Chemical Society 142 (2020) 1726–1730; doi:10.1021/jacs.9b11597

data_4133966
_publ_contact_author             'Subrata Kundu'
_publ_section_title
;
 Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive
 Outer Coordination Sphere in Phenol Oxidation.
;
_journal_issue                   4
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1726
_journal_page_last               1730
_journal_paper_doi               10.1021/jacs.9b11597
_journal_volume                  142
_journal_year                    2020
_chemical_formula_moiety         'C33 H45 N6 O5 Zn, Cl O4'
_chemical_formula_sum            'C33 H45 Cl N6 O9 Zn'
_chemical_formula_weight         770.57
_chemical_name_common            '[mC]Zn(O2N)(ClO4)'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.37
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_computing_cell_refinement       'SAINT V8.37A (Bruker, 2005)'
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; 
SAINT V8.37A, XPREP v2014/2, TWINABS V2012/1 (Bruker, 2016) 
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device       'Bruker APEX ApexII CCD'
_diffrn_measurement_method       'profile data from \f and \w scans'
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_exptl_absorpt_coefficient_mu    0.858
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.493
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_exptl_crystal_description       needle
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'w=1/[\s^2^(Fo^2^)+(0.0568P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            ja9b11597_si_003.cif
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_cod_depositor_comments
'Adding full bibliography for 4133963--4133966.cif.'
_cod_original_cell_volume        6855.1(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4133966
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_shelx_res_checksum              69989
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