Information card for entry 2003339

Structure parameters

• Chemical name: (1,1'-Ferrocenediyl)methylphenylsilane
• Formula: C17 H16 Fe Si
• Calculated formula: C17 H16 Fe Si
• SMILES: [Fe]123456789[c]%10([Si]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(c5ccccc5)C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: The First Unsymmetrically Substituted Ring-Tilted Silicon-Bridged [1]Ferrocenophane
• Authors of publication: Foucher, D. A.; Lough, A. J.; Manners, I.; Rasburn, J.; Vancso, J. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 580 - 582
• a: 18.205 ± 0.002 Å
• b: 7.282 ± 0.002 Å
• c: 11.022 ± 0.002 Å
• α: 90°
• β: 100.62 ± 0.02°
• γ: 90°
• Cell volume: 1436.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0468
• Goodness-of-fit parameter for significantly intense reflections: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No