Information card for entry 4081229

Structure parameters

• Chemical name: 1-(Ferrocenyldimethylsilyl)-4-(dimethylphenylsilyl)dodecamethylbicyclo[2.2.2]octasilane
• Formula: C32 H62 Fe Si10
• Calculated formula: C32 H62 Fe Si10
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si](C)(C)[Si]12[Si](C)(C)[Si](C)(C)[Si]([Si]([Si]1(C)C)(C)C)([Si]([Si]2(C)C)(C)C)[Si](C)(C)c1ccccc1)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.
• Authors of publication: Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4490 - 4500
• a: 9.7295 ± 0.0005 Å
• b: 11.0452 ± 0.0005 Å
• c: 21.0052 ± 0.0009 Å
• α: 94.983 ± 0.002°
• β: 96.29 ± 0.002°
• γ: 98.578 ± 0.002°
• Cell volume: 2206.36 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No