Information card for entry 2010889

Structure parameters

• Formula: C5 H16 B8 N2
• Calculated formula: C5 H16 B8 N2
• SMILES: [BH]1234[BH]567[BH]892[BH]1([n]1ccccc1)[BH]13[NH]2[BH]36([BH]59([H]8)[H]3)[BH]4712
• Title of publication: Polyhedral azaborane chemistry, 6-(C~5~H~5~N)-<i>arachno</i>-4-NB~8~H~11~
• Authors of publication: Price, Caroline; Dörfler, Udo; Kennedy, John D.; Thornton-Pett, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 600 - 601
• a: 14.3618 ± 0.0001 Å
• b: 10.46 ± 0.0001 Å
• c: 7.5779 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1138.39 ± 0.02 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes