(1)H NMR spectroscopic elucidation in solution of the kinetics and thermodynamics of spin crossover for an exceptionally robust Fe(2+) complex.
Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Speck, J Matthäus; Rüffer, Tobias; Schaarschmidt, Dieter; Dalton transactions (Cambridge, England : 2003) 45 (2016) 13798–13809; doi:10.1039/c6dt01895e

data_7040051
_publ_section_title
;
 (1)H NMR spectroscopic elucidation in solution of the kinetics and
 thermodynamics of spin crossover for an exceptionally robust Fe(2+)
 complex.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13798
_journal_page_last               13809
_journal_paper_doi               10.1039/c6dt01895e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'2(C32 H30 Fe N6), 0.217(C4 H6 N2), 4(B F4), 0.566(C2 H3 N)'
_chemical_formula_sum            'C66 H63 B4 F16 Fe2 N13'
_chemical_formula_weight         1497.23
_chemical_name_common            'Complex [Fe(cis-5)][(BF4)2]'
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   mixed
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2016-07-14 deposited with the CCDC.
2016-07-27 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
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CrysAlisPro, Agilent Technologies,
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Empirical absorption correction using spherical harmonics,
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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^)+(0.1401P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                4682
_reflns_number_total             6002
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7040051--7040055.cif.'
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