Information card for entry 4336105

Structure parameters

• Formula: C6 H19 B11
• Calculated formula: C6 H19 B11
• SMILES: [C]1234[C]56(CCCC1)[BH]178[BH]9%106[BH]6%1154[BH]452[BH]231[BH]13%12[BH]4%115[BH]4%106[BH]589[BH]721[BH]3%1254
• Title of publication: Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation
• Authors of publication: Jian Zhang; Zuowei Xie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10677 - 10684
• a: 13.051 ± 0.003 Å
• b: 12.607 ± 0.003 Å
• c: 15.258 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2510.5 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.093
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No