Information card for entry 7217706

Structure parameters

• Formula: C14 H20 N6 O6
• Calculated formula: C14 H20 N6 O6
• SMILES: c1c(cccn1)C[NH2+]CC[NH2+]Cc1cnccc1.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Supramolecular architectures and luminescent properties of salts containing flexible bis(pyridyl) cations with aliphatic diamine spacer: Effects of inorganic anions, alkalinity and conformation of the bis(pyridyl) cations
• Authors of publication: Liu, Tong-Peng; Huo, Li-Hua; Deng, Zhao-Peng; Zhao, Hui; Gao, Shan
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 5.7604 ± 0.0012 Å
• b: 5.6367 ± 0.0011 Å
• c: 27.451 ± 0.006 Å
• α: 90°
• β: 93.39 ± 0.03°
• γ: 90°
• Cell volume: 889.8 ± 0.3 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: 0.0984
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No