Information card for entry 1519951

Structure parameters

• Chemical name: 1,6-diammoniumhexane pimelate dihydrate
• Formula: C13 H32 N2 O6
• Calculated formula: C13 H32 N2 O6
• Title of publication: 1,6-Diammoniumhexane pimelate dihydrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 559
• a: 24.5889 ± 0.0015 Å
• b: 4.5855 ± 0.0003 Å
• c: 18.7275 ± 0.0014 Å
• α: 90°
• β: 123.022 ± 0.004°
• γ: 90°
• Cell volume: 1770.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1843
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No