Information card for entry 4121328

Structure parameters

• Formula: C16 H40 B10 Si2
• Calculated formula: C16 H40 B10 Si2
• SMILES: [Si](/C(=C/1[C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]2%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%152[BH]%16%13%107)[C]58%11%14[C@@H](CCCC)C1)[Si](C)(C)C)(C)(C)C
• Title of publication: Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni
• Authors of publication: Yangjian Quan; Jiji Zhang; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18742 - 18745
• a: 40.858 ± 0.002 Å
• b: 6.6959 ± 0.0003 Å
• c: 9.2019 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No