Information card for entry 2220529

Structure parameters

• Chemical name: Piperidinium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate
• Formula: C19 H20 B N O6
• Calculated formula: C19 H20 B N O6
• SMILES: O1[B]2(Oc3c(C1=O)cccc3)OC(=O)c1c(O2)cccc1.[NH2+]1CCCCC1
• Title of publication: Piperidinium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate
• Authors of publication: Tang, Zhi-Hua; Huang, Chaojun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o171
• a: 19.835 ± 0.007 Å
• b: 16.247 ± 0.007 Å
• c: 12.231 ± 0.005 Å
• α: 90°
• β: 111.624 ± 0.01°
• γ: 90°
• Cell volume: 3664 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes