Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy and Quantum-Chemical Calculations.
Mebs, Stefan; Braun, Beatrice; Kositzki, Ramona; Limberg, Christian; Haumann, Michael; Inorganic chemistry 54 (2015) 11606–11624; doi:10.1021/acs.inorgchem.5b01822

data_4346632
_publ_section_title
;
 Abrupt versus Gradual Spin-Crossover in Fe(II)(phen)2(NCS)2 and
 Fe(III)(dedtc)3 Compared by X-ray Absorption and Emission Spectroscopy
 and Quantum-Chemical Calculations.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11606
_journal_page_last               11624
_journal_paper_doi               10.1021/acs.inorgchem.5b01822
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C15 H30 Fe N3 S6'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+0.9984P] where P=(Fo^2^+2Fc^2^)/3'
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