Information card for entry 7007764

Structure parameters

• Formula: C15 H36 B11 N
• Calculated formula: C15 H36 B11 N
• SMILES: [N+](CC)(CC)(CC)CC.c1(ccccc1)[C]1234[BH]567[BH]89%10[BH]%1126[BH]268[BH]83%11[BH]3%114[BH]415[BH]179[BH]534[BH]28%11[BH]%10615
• Title of publication: Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.
• Authors of publication: Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5753 - 5769
• a: 13.0151 ± 0.0003 Å
• b: 10.2266 ± 0.0003 Å
• c: 16.9186 ± 0.0005 Å
• α: 90°
• β: 100.558 ± 0.0013°
• γ: 90°
• Cell volume: 2213.75 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No