Assessment of the intramolecular magnetic interactions in the highly saddled iron(iii) porphyrin π-radical cations: the change from planar to saddle conformations.
Chen, Ching-Chin; Wu, Yi-Wen; Nakamura, Mikio; Cheng, Ru-Jen; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13820–13833; doi:10.1039/c9dt02714a

data_7700863
_publ_section_title
;
 Assessment of the intramolecular magnetic interactions in the highly
 saddled iron(iii) porphyrin \p-radical cations: the change from planar to
 saddle conformations.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13820
_journal_page_last               13833
_journal_paper_doi               10.1039/c9dt02714a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C61 H62 Cl9 Fe N4 Sb'
_chemical_formula_sum            'C61 H62 Cl9 Fe N4 Sb'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-11-14 deposited with the CCDC.    2019-08-19 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150(2)
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.3000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02714a2.cif
_cod_data_source_block           feoetppsbcl6
_cod_depositor_comments
'Adding full bibliography for 7700863--7700864.cif.'
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