Information card for entry 7042677

Structure parameters

• Common name: [Fe(5c)2](BF4)2
• Formula: C36 H26 B2 F8 Fe N6 O2
• Calculated formula: C36 H26 B2 F8 Fe N6 O2
• 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: 15.7622 ± 0.0006 Å
• b: 12.2746 ± 0.0003 Å
• c: 24.0938 ± 0.0008 Å
• α: 90°
• β: 107.441 ± 0.004°
• γ: 90°
• Cell volume: 4447.2 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No