Information card for entry 4334798

Structure parameters

• Formula: C28 H38 Br3 Fe O3 Sn
• Calculated formula: C28 H38 Br3 Fe O3 Sn
• Title of publication: Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes
• Authors of publication: Ekaterina V. Ilyakina; Andrey I. Poddel'sky; Georgy K. Fukin; Artem S. Bogomyakov; Vladimir K. Cherkasov; Gleb A. Abakumov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5284 - 5289
• a: 13.2228 ± 0.0011 Å
• b: 11.401 ± 0.001 Å
• c: 20.7224 ± 0.0018 Å
• α: 90°
• β: 108.041 ± 0.001°
• γ: 90°
• Cell volume: 2970.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No