Information card for entry 4087356

Structure parameters

• Formula: C9 H28 B20
• Calculated formula: C9 H28 B20
• Title of publication: Molecular Rods Combiningo-Carborane and Bicyclo[1.1.1]pentane Cages: An Insertion of the Triple Bond Located Next to a Highly Strained Cage
• Authors of publication: Kaleta, Jiří; Janoušek, Zbyněk; Nečas, Marek; Mazal, Ctibor
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 967
• a: 6.6722 ± 0.0003 Å
• b: 13.6125 ± 0.0006 Å
• c: 11.3546 ± 0.0005 Å
• α: 90°
• β: 92.769 ± 0.004°
• γ: 90°
• Cell volume: 1030.08 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No