Information card for entry 7213147

Structure parameters

• Formula: C24 H24 N8 S6
• Calculated formula: C24 H14 N8 S6
• SMILES: S=C1NC(=S)NC(=S)N1.S=C1NC(=S)NC(=S)N1.n1ccc(c2ccncc2)cc1.c1ccc(cc1C)C
• Title of publication: An organic channel structure formed by the supramolecular assembly of trithiocyanuric acid and 4,4′‐bipyridyl
• Authors of publication: Ranganathan, Anupama; Pedireddi, V. R.; Chatterjee, Swati; Rao, C. N. R.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2407
• a: 10.324 ± 0.001 Å
• b: 11.615 ± 0.001 Å
• c: 12.319 ± 0.001 Å
• α: 102.16 ± 0.01°
• β: 93.46 ± 0.01°
• γ: 90.68 ± 0.01°
• Cell volume: 1441 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.157
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections: 0.2548
• Weighted residual factors for significantly intense reflections: 0.2189
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.432
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No