Information card for entry 7212074

Structure parameters

• Common name: 1-butyl-4-methylpyridinium hexachloridophosphate
• Chemical name: 1-butyl-4-methylpyridinium hexachloridophosphate
• Formula: C10 H16 Cl6 N P
• Calculated formula: C10 H16 Cl6 N P
• SMILES: [P](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[n+]1(ccc(cc1)C)CCCC
• Title of publication: Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates
• Authors of publication: Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1474
• a: 14.6807 ± 0.0016 Å
• b: 7.2421 ± 0.0007 Å
• c: 16.1568 ± 0.0017 Å
• α: 90°
• β: 101.548 ± 0.009°
• γ: 90°
• Cell volume: 1683 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No