Information card for entry 4323142

Structure parameters

• Chemical name: 8,9,10,12-tetrafluro-o-carborane
• Formula: C2 H8 B10 F4
• Calculated formula: C2 H8 B10 F4
• SMILES: [BH]1234[BH]567[BH]89%10[B]%11%126([B]615(F)[BH]153[BH]3%13%14[BH]%159([CH]278[CH]45%14%15)[B]%10%113([B]%1261%13F)F)F
• Title of publication: Topological Analysis of the Electron Density Distribution in the Crystal of 8,9,10,12-Tetrafluoro-o-carborane on the Basis of the High-Resolution X-ray Diffraction Data at 120 K
• Authors of publication: Konstantin A. Lyssenko; Mikhail Yu. Antipin; Viatcheslav N. Lebedev
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5834 - 5843
• a: 6.808 ± 0.001 Å
• b: 11.777 ± 0.002 Å
• c: 11.856 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.0719
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No