Information card for entry 2205071

Structure parameters

• Chemical name: Methylchlorosila[1]ferrocenophane
• Formula: C11 H11 Cl Fe Si
• Calculated formula: C11 H11 Cl Fe Si
• SMILES: [Fe]23456789%10[c]1([cH]2[cH]3[cH]4[cH]51)[Si](Cl)([c]16[cH]7[cH]8[cH]9[cH]%101)C
• Title of publication: Methylchlorosila[1]ferrocenophane
• Authors of publication: Chan, Wing Yan; Lough, Alan J.; Manners, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m375 - m376
• a: 13.4146 ± 0.0009 Å
• b: 10.2135 ± 0.0008 Å
• c: 7.8627 ± 0.0006 Å
• α: 90°
• β: 95.295 ± 0.005°
• γ: 90°
• Cell volume: 1072.67 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes