Information card for entry 7018682

Structure parameters

• Formula: C5 H16 B5 N O10
• Calculated formula: C5 H16 B5 N O10
• Title of publication: Templated heptaborate and pentaborate salts of cyclo-alkylammonium cations: structural and thermal properties.
• Authors of publication: Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Timmis, James L.; Varma, K. Sukumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4396 - 4403
• a: 9.4446 ± 0.0004 Å
• b: 13.9129 ± 0.0007 Å
• c: 10.333 ± 0.0003 Å
• α: 90°
• β: 92.517 ± 0.003°
• γ: 90°
• Cell volume: 1356.46 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No