Information card for entry 7042674

Structure parameters

• Common name: [Fe(5e)2](BF4)2
• Formula: C46 H35 B2 F8 Fe N13
• Calculated formula: C46 H35 B2 F8 Fe N13
• Title of publication: Spin state variability in Fe2+ complexes of substituted (2-(pyridin-2-yl)-1,10-phenanthroline) ligands as versatile terpyridine analogues
• Authors of publication: Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Heider, Silvio; Lochenie, Charles; Weber, Birgit; Rueffer, Tobias; Schaarschmidt, Dieter
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.586 ± 0.0005 Å
• b: 12.6635 ± 0.0004 Å
• c: 14.9829 ± 0.0005 Å
• α: 96.447 ± 0.003°
• β: 100.639 ± 0.003°
• γ: 110.225 ± 0.004°
• Cell volume: 2161.73 ± 0.15 ų
• Cell temperature: 109.8 ± 0.3 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No