Information card for entry 7018685

Structure parameters

• Formula: C14 H47 B9 N2 O22
• Calculated formula: C14.007 H43.016 B9 N2.001 O21.999
• 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: 13.02 ± 0.0003 Å
• b: 13.5845 ± 0.0004 Å
• c: 18.4005 ± 0.0004 Å
• α: 90°
• β: 91.513 ± 0.001°
• γ: 90°
• Cell volume: 3253.37 ± 0.14 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: 0.0801
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No