Information card for entry 4350689

Structure parameters

• Formula: C46 H64 F24 Fe2 N12 P8
• Calculated formula: C46 H64 F24 Fe2 N12 P8
• 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: 10.175 ± 0.002 Å
• b: 18.176 ± 0.004 Å
• c: 18.604 ± 0.005 Å
• α: 88.663 ± 0.01°
• β: 75.247 ± 0.01°
• γ: 75.812 ± 0.01°
• Cell volume: 3222.9 ± 1.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0379
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No