Insight into the preferential N-binding <i>versus</i> O-binding of nitrosoarenes to ferrous and ferric heme centers.
Abucayon, Erwin G.; Chu, Jia-Min; Ayala, Megan; Khade, Rahul L.; Zhang, Yong; Richter-Addo, George B; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3487–3498; doi:10.1039/d0dt03604h

data_7706640
_publ_section_title
;
 Insight into the preferential N-binding <i>versus</i> O-binding of
 nitrosoarenes to ferrous and ferric heme centers.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3487
_journal_page_last               3498
_journal_paper_doi               10.1039/d0dt03604h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C46 H58 Fe N6 O, F6 Sb, C H2 Cl2'
_chemical_formula_sum            'C47 H60 Cl2 F6 Fe N6 O Sb'
_chemical_formula_weight         1087.51
_chemical_name_systematic        '[OEPFe(Et2NC6H4NO]SbF6'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2020-06-20 deposited with the CCDC.	2021-02-10 downloaded from the CCDC.
;
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_diffrn_measurement_method       '\f and \w scans'
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_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0564
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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^)+(0.0560P)^2^+1.6400P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1056
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_reflns_number_gt                11034
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           15160a
_cod_depositor_comments
'Adding full bibliography for 7706639--7706641.cif.'
_cod_database_code               7706640
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