Information card for entry 4336107

Structure parameters

• Formula: C10 H30 B11 N
• Calculated formula: C10 H30 B11 N
• SMILES: [NH](CC)(CC)[B]1234[H][BH]564[C]478[C]9%10(CCCC4)[BH]467[BH]67%118[BH]815[BH]15%11[BH]%1147[BH]496[BH]63%10[BH]281[BH]5%1146
• 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: 7.4647 ± 0.0012 Å
• b: 14.673 ± 0.002 Å
• c: 16.269 ± 0.003 Å
• α: 90°
• β: 94.198 ± 0.003°
• γ: 90°
• Cell volume: 1777.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No