Information card for entry 4350691

Structure parameters

• Formula: C27 H24 F12 Fe N8 P2
• Calculated formula: C27 H24 F12 Fe N8 P2
• Title of publication: Making oxidation potentials predictable: coordination of additives applied to the electronic fine tuning of an iron(II) complex.
• Authors of publication: Haslinger, Stefan; Kück, Jens W; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11573 - 11583
• a: 8.3093 ± 0.0002 Å
• b: 21.6677 ± 0.0007 Å
• c: 16.8372 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3031.43 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No