Information card for entry 7209897

Structure parameters

• Formula: C11 H13 N5 O6
• Calculated formula: C11 H13 N5 O6
• SMILES: O=N(=O)[O-].O=N(=O)[O-].[nH+]1c(NCc2c[nH+]ccc2)cccc1
• Title of publication: Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions
• Authors of publication: Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 5261
• a: 5.6882 ± 0.0011 Å
• b: 7.1254 ± 0.001 Å
• c: 18.859 ± 0.003 Å
• α: 93.019 ± 0.012°
• β: 93.569 ± 0.014°
• γ: 112.646 ± 0.015°
• Cell volume: 701.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0975
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No