Information card for entry 2219661

Structure parameters

• Chemical name: Cyclohexyldimethylammonium tetrahydroxypentaborate
• Formula: C8 H22 B5 N O10
• Calculated formula: C8 H22 B5 N O10
• SMILES: B1(O)OB(O)O[B]2(O1)OB(O)OB(O2)O.C1CCCC(C1)[NH+](C)C
• Title of publication: Cyclohexyldimethylammonium tetrahydroxypentaborate
• Authors of publication: Li, Hui; Wang, Guo-Ming; Xue, Shu-Yun; Liang, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1269 - m1270
• a: 8.6971 ± 0.0004 Å
• b: 9.899 ± 0.0002 Å
• c: 10.23 ± 0.0003 Å
• α: 74.591 ± 0.003°
• β: 74.442 ± 0.002°
• γ: 82.19 ± 0.005°
• Cell volume: 815.98 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes