Information card for entry 4081224

Structure parameters

• Chemical name: 1-(Ferrocenyldimethylsilyl)dodecamethyl-4-(trimethylsilyl)bicyclo[2.2.2]octasilane
• Formula: C27 H60 Fe Si10
• Calculated formula: C27 H60 Fe Si10
• SMILES: [Fe]12345678([cH]9[cH]3[cH]4[cH]2[c]19[Si]([Si]12[Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)[Si]([Si]2(C)C)(C)C)(C)C)(C)C)(C)C)[cH]1[cH]5[cH]8[cH]7[cH]61
• 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: 11.832 ± 0.0005 Å
• b: 15.4908 ± 0.0005 Å
• c: 22.9089 ± 0.0011 Å
• α: 90°
• β: 96.742 ± 0.002°
• γ: 90°
• Cell volume: 4169.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No