Information card for entry 4350690

Structure parameters

• Formula: C35 H40 F12 Fe N12 P2
• Calculated formula: C35 H40 F12 Fe N12 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: 7.9824 ± 0.0005 Å
• b: 21.9479 ± 0.0008 Å
• c: 23.6689 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4146.7 ± 0.4 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: 0.0642
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No