Information card for entry 7042678

Structure parameters

• Common name: [Fe(5a)2](BF4)2
• Formula: C38 H28 B2 F8 Fe N8
• Calculated formula: C38 H28 B2 F8 Fe N8
• 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: 11.5432 ± 0.0005 Å
• b: 11.9637 ± 0.0009 Å
• c: 14.2066 ± 0.001 Å
• α: 90.196 ± 0.006°
• β: 95.816 ± 0.005°
• γ: 113.065 ± 0.006°
• Cell volume: 1793.8 ± 0.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 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: 0.0837
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No