Information card for entry 8106932

Structure parameters

• Formula: C7 H17 B5 N2 O10
• Calculated formula: C7 H17 B5 N2 O10
• Title of publication: Crystal structure of 1-propyl-3-methylimidazolium pentaborate, [C7H13N2][B5O6(OH)4]
• Authors of publication: Li, Ping; Fan, Cai-Hong; Ge, Jun-Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 537 - 539
• a: 9.5108 ± 0.0017 Å
• b: 15.659 ± 0.003 Å
• c: 10.356 ± 0.002 Å
• α: 90°
• β: 90.367 ± 0.003°
• γ: 90°
• Cell volume: 1542.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No