Information card for entry 7042675

Structure parameters

• Common name: HS-[Fe(5d)2](BF4)2
• Formula: C38 H26 B2 Br2 F8 Fe N8
• Calculated formula: C38 H26 B2 Br2 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: 12.074 ± 0.001 Å
• b: 12.2201 ± 0.0008 Å
• c: 14.8271 ± 0.0008 Å
• α: 81.49 ± 0.005°
• β: 86.353 ± 0.005°
• γ: 113.602 ± 0.007°
• Cell volume: 1964.3 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No