Information card for entry 4345279

Structure parameters

• Formula: C12 H32 B12 Br6 N Na
• Calculated formula: C12 H32 B12 Br6 N Na
• Title of publication: Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.
• Authors of publication: Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3459 - 3466
• a: 21.8537 ± 0.0012 Å
• b: 21.8537 ± 0.0012 Å
• c: 12.5914 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5207.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No