Information card for entry 7206680

Structure parameters

• Formula: C18 H20 N6 O6
• Calculated formula: C18 H20 N6 O6
• SMILES: c1c(ccc[nH+]1)NCc1ccc(CNc2c[nH+]ccc2)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Inorganic anion induced supramolecular architectures and luminescent properties of flexible bis(pyridyl) based ionic salts
• Authors of publication: Deng, Zhao-Peng; Qi, Hui-Ling; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6632
• a: 5.0087 ± 0.001 Å
• b: 15.303 ± 0.004 Å
• c: 12.989 ± 0.004 Å
• α: 90°
• β: 107.44 ± 0.03°
• γ: 90°
• Cell volume: 949.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No