Information card for entry 8102186

Structure parameters

• Common name: imidazolium pentaborate
• Chemical name: imidazolium tetrahydroxohexaoxopentaborate
• Formula: C3 H9 B5 N2 O10
• Calculated formula: C3 H9 B5 N2 O10
• SMILES: [nH]1c[nH+]cc1.O1[B-]2(OB(OB1O)O)OB(OB(O2)O)O
• Title of publication: Crystal structure of imidazolium tetrahydroxohexaoxopentaborate, [C~3~H~5~N~2~][B~5~O~6~(OH)~4~]
• Authors of publication: Han, Wei-He; Dang, Li-Long; Zhang, Wen-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 403 - 404
• a: 8.846 ± 0.003 Å
• b: 16.296 ± 0.006 Å
• c: 8.744 ± 0.003 Å
• α: 90°
• β: 106.647 ± 0.006°
• γ: 90°
• Cell volume: 1207.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1069
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No