Information card for entry 4070176

Structure parameters

• Chemical name: 1,1,8,8-tetrachloro-1,8-disilacyclotetradecane
• Formula: C12 H24 Cl4 Si2
• Calculated formula: C12 H24 Cl4 Si2
• SMILES: Cl[Si]1(CCCCCC[Si](CCCCCC1)(Cl)Cl)Cl
• Title of publication: Hypercoordinate Silacycloalkanes: Step-by-Step Tuning of N→Si Interactions§
• Authors of publication: Brendler, Erica; Wächtler, Erik; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5459
• a: 6.9533 ± 0.0001 Å
• b: 10.0966 ± 0.0002 Å
• c: 12.6146 ± 0.0002 Å
• α: 90°
• β: 98.807 ± 0.001°
• γ: 90°
• Cell volume: 875.16 ± 0.03 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No