Information card for entry 4102783

Structure parameters

• Formula: C54 H66 Si5
• Calculated formula: C54 H66 Si5
• SMILES: [Si]123[Si]([Si]1(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([Si]2(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Si]3(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule
• Authors of publication: Dominik Nied; Ralf Köppe; Wim Klopper; Hansgeorg Schnöckel; Frank Breher
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10264 - 10265
• a: 8.5116 ± 0.0017 Å
• b: 26.887 ± 0.005 Å
• c: 41.174 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9423 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No