Information card for entry 7204634

Structure parameters

• Formula: C96 H98 N4 O62
• Calculated formula: C96 H98 N4 O62
• Title of publication: Supramolecular architecture of a novel salt of trimesic acid and 1,2-bis(4-pyridyl)ethane
• Authors of publication: Almeida Paz, Filipe A.; Klinowski, Jacek
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 238
• a: 14.218 ± 0.003 Å
• b: 41.861 ± 0.008 Å
• c: 17.664 ± 0.004 Å
• α: 90°
• β: 106.29 ± 0.03°
• γ: 90°
• Cell volume: 10091 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No