Information card for entry 2201133

Structure parameters

• Formula: C21 H26 Fe
• Calculated formula: C21 H26 Fe
• SMILES: [Fe]([cH]12)([cH]13)([cH]21)([c]124)([c]23c(ccc4C)C)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
• Title of publication: (η^5^-4,7-Dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)iron(II)
• Authors of publication: Jones, Peter G.; Hopf, Henning; Hartig, Thorsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m139 - m140
• a: 8.35 ± 0.002 Å
• b: 13.925 ± 0.003 Å
• c: 14.645 ± 0.004 Å
• α: 90°
• β: 95.88 ± 0.02°
• γ: 90°
• Cell volume: 1693.9 ± 0.7 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes