Information card for entry 7217714

Structure parameters

• Formula: C14 H22 N8 O12
• Calculated formula: C14 H22 N8 O12
• SMILES: c1c(ccc[nH+]1)C[NH2+]CC[NH2+]Cc1c[nH+]ccc1.N(=O)(=O)[O-].O=N(=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: 6.6103 ± 0.0013 Å
• b: 8.2099 ± 0.0016 Å
• c: 10.764 ± 0.002 Å
• α: 90.07 ± 0.03°
• β: 100.1 ± 0.03°
• γ: 111.18 ± 0.03°
• Cell volume: 534.9 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No