Information card for entry 4320961

Structure parameters

• Common name: imidazolium nonaborate
• Chemical name: [C~3~H~5~N~2~]~3~ [B~9~O~12~(OH)~6~
• Formula: C9 H21 B9 N6 O18
• Calculated formula: C9 H21 B9 N6 O18
• Title of publication: Guanidinium and Imidazolium Borates Containing the First Examples of an Isolated Nonaborate Oxoanion: [B~9~O~12~(OH)~6~]^3^
• Authors of publication: David M. Schubert; Mandana Z. Visi; Carolyn B. Knobler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2250 - 2251
• a: 16.622 ± 0.003 Å
• b: 9.3324 ± 0.0015 Å
• c: 15.57 ± 0.003 Å
• α: 90°
• β: 91.17 ± 0.003°
• γ: 90°
• Cell volume: 2414.8 ± 0.7 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.1129
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No