The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.
Amanullah, Sk; Dey, Abhishek; Chemical science 11 (2020) 5909–5921; doi:10.1039/d0sc01625j

data_1558034
_publ_section_title
;
 The role of porphyrin peripheral substituents in determining the
 reactivities of ferrous nitrosyl species.
;
_journal_issue                   23
_journal_name_full               'Chemical science'
_journal_page_first              5909
_journal_page_last               5921
_journal_paper_doi               10.1039/d0sc01625j
_journal_volume                  11
_journal_year                    2020
_chemical_formula_moiety         'C41 H28 N5 O4 Zn, C4 H10 O'
_chemical_formula_sum            'C45 H38 N5 O5 Zn'
_chemical_formula_weight         794.09
_chemical_name_common            'Zinc Diesterporphyrin'
_chemical_name_systematic        ZnDEsC
_chemical_properties_physical    Light-sensitive
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
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;
2018-07-07 deposited with the CCDC.	2020-05-07 downloaded from the CCDC.
;
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_exptl_crystal_recrystallization_method 'Vapour deposition'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0436P)^2^+0.1010P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4150
_reflns_number_total             4686
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc01625j2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
;Adding full bibliography for 1558032--1558034.cif.

 Adding full bibliography for 1558032--1558034.cif.
;
_cod_database_code               1558034
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