Information card for entry 7213019

Structure parameters

• Formula: C10 H16 Si2
• Calculated formula: C10 H16 Si2
• SMILES: [Si]1(C)(C)[Si](C)(C)C#CCCC#C1
• Title of publication: 1,1,2,2-Tetramethyl-1,2-disilacycloocta-3,7-diyne — structure and bonding properties of a highly strained cyclic diyne
• Authors of publication: Haberhauer, Gebhard; Rominger, Frank; Gleiter, Rolf
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 947
• a: 7.3605 ± 0.0001 Å
• b: 13.2811 ± 0.0002 Å
• c: 12.3457 ± 0.0002 Å
• α: 90°
• β: 90.496 ± 0.001°
• γ: 90°
• Cell volume: 1206.82 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No