Information card for entry 2006319

Structure parameters

• Chemical name: Bis(dicyclohexylammonium) 2,6-pyridinedicarboxylate dihydrate
• Formula: C31 H55 N3 O6
• Calculated formula: C31 H55 N3 O6
• Title of publication: Bis(dicyclohexylammonium) 2,6-Pyridinedicarboxylate Dihydrate
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 986 - 987
• a: 10.579 ± 0.001 Å
• b: 18.1356 ± 0.0009 Å
• c: 17.507 ± 0.002 Å
• α: 90°
• β: 106.044 ± 0.006°
• γ: 90°
• Cell volume: 3228 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections: 0.1953
• Weighted residual factors for significantly intense reflections: 0.1748
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.317
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No