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_1558033
_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         'C88 H72 N8 O16 Zn2, 2(C H Cl3)'
_chemical_formula_sum            'C90 H74 Cl6 N8 O16 Zn2'
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_audit_update_record
;
2019-10-14 deposited with the CCDC.	2020-05-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_coefficient_mu    0.817
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Purple
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_exptl_crystal_description       Plate
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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^)+(0.0572P)^2^+1.2365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1474
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5203
_reflns_number_total             8165
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc01625j2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
;Adding full bibliography for 1558032--1558034.cif.

 Adding full bibliography for 1558032--1558034.cif.
;
_cod_database_code               1558033
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              96742