Information card for entry 2311869

Structure parameters

• Common name: Pyridine Lithium hexafluorophosphate solvate
• Chemical name: Tetrakis(pyridine-κ<i>N</i>)lithium(I) hexafluoridophosphate
• Formula: C20 H20 F6 Li N4 P
• Calculated formula: C20 H20 F6 Li N4 P
• SMILES: c1[n]([Li]([n]2ccccc2)([n]2ccccc2)[n]2ccccc2)cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C₅H₅N)LiPF₆, [p-(CH₂=CH)C₅H₄N]LiPF₆, [(C₅H₅N)LiCl]_n, and [p-(CH₂=CH)C₅H₄N]₂Li(μ-Cl)₂Li[p-(CH₂=CH)C₅H₄N]₂.
• Authors of publication: Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 3
• Pages of publication: 264 - 269
• a: 12.3857 ± 0.0012 Å
• b: 12.3857 ± 0.0012 Å
• c: 7.0065 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.09 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No