Information card for entry 2014090

Structure parameters

• Chemical name: Tetramethylammonium pentaborate hydrate
• Formula: C4 H16 B5 N O10.25
• Calculated formula: C4 H16.5 B5 N O10.25
• Title of publication: Tetramethylammonium pentaborate 0.25-hydrate
• Authors of publication: Hong-Xia Zhang; Shou-Tian Zheng; Guo-Yu Yang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o545 - o546
• a: 9.2623 ± 0.0004 Å
• b: 16.8814 ± 0.0007 Å
• c: 9.2119 ± 0.0005 Å
• α: 90°
• β: 96.281 ± 0.003°
• γ: 90°
• Cell volume: 1431.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes