Information card for entry 2206899

Structure parameters

• Chemical name: 1-Ferrocenyl-1-(1-indenyl)cyclohexane
• Formula: C25 H26 Fe
• Calculated formula: C25 H26 Fe
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C1(CCCCC1)C1C=Cc2c1cccc2)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: 1-Ferrocenyl-1-(1-indenyl)cyclohexane
• Authors of publication: Lin, Jin; Xu, Shan-Sheng; Song, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1968 - m1969
• a: 13.232 ± 0.002 Å
• b: 11.6546 ± 0.0018 Å
• c: 12.293 ± 0.002 Å
• α: 90°
• β: 92.881 ± 0.003°
• γ: 90°
• Cell volume: 1893.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes