Information card for entry 2007805

Structure parameters

• Chemical name: ferrocenium tetrochloroaluminate
• Formula: C10 H10 Al Cl4 Fe
• Calculated formula: C10 H10 Al Cl4 Fe
• SMILES: [Al](Cl)(Cl)(Cl)[Cl-].[cH]12[cH]3[Fe]4567892([cH]1[cH]6[cH]35)[cH]1[cH]4[cH]9[cH]8[cH]71
• Title of publication: Ferrocenium Tetrachloroferrate Revisited, and Ferrocenium Tetrachloroaluminate
• Authors of publication: Cotton, F. Albert; Daniels, Lee M.; Pascual, Isabel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1575 - 1578
• a: 13.788 ± 0.006 Å
• b: 8.643 ± 0.002 Å
• c: 12.009 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.1 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.144
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 1.146
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No