Information card for entry 7050392

Structure parameters

• Common name: caesium penta-bromo-monocarbadecaborane
• Formula: C H5 B9 Br5 Cs
• Calculated formula: C H5 B9 Br5 Cs
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[B]349([B]981([B]157([B]623([B]491Br)Br)Br)Br)Br.[Cs+]
• Title of publication: Structural chemistry of halogenated monocarbaboranes: the extended structures of Cs[1-HCB9H4Br5], Cs[1-HCB11H5Cl6] and Cs[1-HCB11H5Br6]
• Authors of publication: Andreas Franken; Neil J. Bullen; Tomáš Jelínek; Mark Thornton-Pett; Simon J. Teat; William Clegg; John D. Kennedy; Michaele J. Hardie
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 1499 - 1505
• a: 8.3873 ± 0.0006 Å
• b: 8.3873 ± 0.0006 Å
• c: 10.5853 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 744.64 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.6883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No