Information card for entry 7217711

Structure parameters

• Formula: C14 H22 Cl4 N4
• Calculated formula: C14 H22 Cl4 N4
• SMILES: c1cc(cc[nH+]1)C[NH2+]CC[NH2+]Cc1cc[nH+]cc1.[Cl-].[Cl-].[Cl-].[Cl-]
• 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: 5.1471 ± 0.0008 Å
• b: 8.9123 ± 0.0014 Å
• c: 11.038 ± 0.002 Å
• α: 113.121 ± 0.013°
• β: 97.784 ± 0.013°
• γ: 91.085 ± 0.012°
• Cell volume: 459.93 ± 0.14 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: 0.0808
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No