Information card for entry 7217715

Structure parameters

• Formula: C14 H22 N8 O12
• Calculated formula: C14 H22 N8 O12
• SMILES: c1(cccc[nH+]1)C[NH2+]CC[NH2+]Cc1cccc[nH+]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=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: 6.9394 ± 0.001 Å
• b: 7.4069 ± 0.0009 Å
• c: 11.129 ± 0.0012 Å
• α: 96.147 ± 0.01°
• β: 105.845 ± 0.011°
• γ: 109.686 ± 0.013°
• Cell volume: 505.46 ± 0.13 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: 0.0443
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No