Information card for entry 7209895

Structure parameters

• Formula: C11 H13 Cl2 N3
• Calculated formula: C11 H13 Cl2 N3
• SMILES: [Cl-].[Cl-].[nH+]1c(NCc2cc[nH+]cc2)cccc1
• Title of publication: Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions
• Authors of publication: Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 5261
• a: 8.9165 ± 0.0005 Å
• b: 13.8016 ± 0.0008 Å
• c: 10.3354 ± 0.0004 Å
• α: 90°
• β: 102.248 ± 0.005°
• γ: 90°
• Cell volume: 1242.94 ± 0.11 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: 0.0832
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No