Information card for entry 7206682

Structure parameters

• Formula: C18 H20 N6 O6
• Calculated formula: C18 H20 N6 O6
• SMILES: O=N(=O)[O-].O=N(=O)[O-].[nH+]1cc(NCc2cc(ccc2)CNc2c[nH+]ccc2)ccc1
• 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: 8.2787 ± 0.0017 Å
• b: 16.705 ± 0.003 Å
• c: 13.977 ± 0.003 Å
• α: 90°
• β: 98.07 ± 0.03°
• γ: 90°
• Cell volume: 1913.8 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1954
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No