Information card for entry 2206915

Structure parameters

• Chemical name: 1-Ferrocenyl-1-(1H-indenyl)cycloheptane
• Formula: C26 H28 Fe
• Calculated formula: C26 H28 Fe
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)C1(CCCCCC1)C1C=Cc2ccccc12
• Title of publication: 1-Ferrocenyl-1-(1<i>H</i>-indenyl)cycloheptane
• 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: m2050 - m2051
• a: 6.2777 ± 0.0016 Å
• b: 34.562 ± 0.009 Å
• c: 9.321 ± 0.002 Å
• α: 90°
• β: 90.443 ± 0.004°
• γ: 90°
• Cell volume: 2022.3 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes