Information card for entry 2230121

Structure parameters

• Chemical name: Diferrocenyl(methyl)phenylsilane
• Formula: C27 H26 Fe2 Si
• Calculated formula: C27 H26 Fe2 Si
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[c]6([Si](c2ccccc2)(C)[c]23[cH]4[Fe]6789%10%112([cH]([cH]47)[cH]36)[cH]2[cH]8[cH]9[cH]%10[cH]%112)[cH]51
• Title of publication: Diferrocenyl(methyl)phenylsilane
• Authors of publication: Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m635
• a: 7.384 ± 0.0015 Å
• b: 11.749 ± 0.002 Å
• c: 13.107 ± 0.003 Å
• α: 84.18 ± 0.03°
• β: 76.18 ± 0.03°
• γ: 79.04 ± 0.03°
• Cell volume: 1082.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes