Information card for entry 7217708

Structure parameters

• Formula: C14 H24 Cl2 N4 O10
• Calculated formula: C14 H24 Cl2 N4 O10
• SMILES: c1cc(ccn1)C[NH2+]CC[NH2+]Cc1ccncc1.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=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: 7.6857 ± 0.0015 Å
• b: 8.7364 ± 0.0017 Å
• c: 8.8059 ± 0.0018 Å
• α: 112.2 ± 0.03°
• β: 102.88 ± 0.03°
• γ: 96.14 ± 0.03°
• Cell volume: 521.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No