Information card for entry 4500403

Structure parameters

• Chemical name: bis(cyclooctylammonium).(terephthalate)
• Formula: C12 H20 N O2
• Calculated formula: C12 H20 N O2
• Title of publication: Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12
• Authors of publication: Lemmerer, Andreas
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 583
• a: 6.5205 ± 0.0009 Å
• b: 9.0147 ± 0.0013 Å
• c: 11.2738 ± 0.0018 Å
• α: 67.047 ± 0.008°
• β: 74.083 ± 0.008°
• γ: 79.039 ± 0.008°
• Cell volume: 584.22 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No