Information card for entry 7209903

Structure parameters

• Formula: C11 H12 F6 N3 P
• Calculated formula: C11 H12 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[nH+]1ccccc1NCc1cnccc1
• 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: 7.3681 ± 0.0015 Å
• b: 12.231 ± 0.002 Å
• c: 15.253 ± 0.003 Å
• α: 90°
• β: 98.31 ± 0.03°
• γ: 90°
• Cell volume: 1360.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No