Information card for entry 2211227

Structure parameters

• Common name: 2-methylimidazolium pentaborate
• Chemical name: 2-methylimidazolium tetrahydroxohexaoxopentaborate
• Formula: C4 H11 B5 N2 O10
• Calculated formula: C4 H11 B5 N2 O10
• SMILES: O1[B-]2(OB(OB1O)O)OB(OB(O2)O)O.[nH]1c([nH+]cc1)C
• Title of publication: 2-Methylimidazolium tetrahydroxohexaoxopentaborate
• Authors of publication: Hui-Xxiang Yang; Wen-Juan Zhang; Xia-Li Liu; Zhi-Hong Liu
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o2846 - o2848
• a: 8.4513 ± 0.0016 Å
• b: 11.458 ± 0.002 Å
• c: 14.026 ± 0.003 Å
• α: 90°
• β: 90.682 ± 0.004°
• γ: 90°
• Cell volume: 1358.2 ± 0.4 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: 0.0743
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No