Information card for entry 4082135

Structure parameters

• Formula: C6 H22 B12 Si
• Calculated formula: C6 H22 B12 Si
• SMILES: [Si]1(C[C]2345[C]678(C1)[BH]19%102[BH]2%116[BH]6%121[BH]1%139[BH]93%10[BH]3%10%13[BH]%13%121[BH]1%116[BH]682[BH]247[BH]593[BH]%10%13162)(C)C
• Title of publication: Synthesis and Characterization of 14-Vertex Carboranes
• Authors of publication: Zhang, Jian; Zheng, Fangrui; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7399
• a: 13.401 ± 0.002 Å
• b: 14.041 ± 0.003 Å
• c: 16.643 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3131.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1396
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No