Information card for entry 4064296

Structure parameters

• Chemical name: cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane
• Formula: C9 H30 O3 Si6
• Calculated formula: C9 H30 O3 Si6
• SMILES: [Si@]1([Si]([Si@]([Si]([Si@]([Si]1(C)C)(O)C)(C)C)(O)C)(C)C)(O)C
• Title of publication: cis,cis-1,3,5-Trihydroxynonamethylcyclohexasilane: A Cyclopolysilane with Unusual Properties
• Authors of publication: Stueger, Harald; Albering, Joerg; Flock, Michaela; Fuerpass, Gottfried; Mitterfellner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2531
• a: 17.6395 ± 0.0006 Å
• b: 9.9581 ± 0.0003 Å
• c: 24.7392 ± 0.0011 Å
• α: 90°
• β: 108.739 ± 0.001°
• γ: 90°
• Cell volume: 4115.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No