Information card for entry 2201336

Structure parameters

• Formula: C24 H30 Fe
• Calculated formula: C24 H30 Fe
• SMILES: [Fe]([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([cH]12)([cH]13)([cH]21)([c]124)[c]23c(C)c1CCCc1c4C
• Title of publication: (η^5^-Pentamethylcyclopentadienyl)(η^5^-5,6,7-trihydro-4,8-dimethyl-<i>s</i>-indacenyl)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: 8
• Pages of publication: m412 - m413
• a: 8.6838 ± 0.0015 Å
• b: 9.713 ± 0.002 Å
• c: 11.566 ± 0.003 Å
• α: 80.62 ± 0.02°
• β: 81.09 ± 0.02°
• γ: 88.82 ± 0.02°
• Cell volume: 950.9 ± 0.4 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes