Information card for entry 2202143

Structure parameters

• Common name: bis(4-dimethylaminopyridinium) 1,2-difluorodiphosphate
• Formula: C14 H22 F2 N4 O5 P2
• Calculated formula: C14 H22 F2 N4 O5 P2
• SMILES: P(=O)(F)([O-])OP(=O)(F)[O-].[nH+]1ccc(N(C)C)cc1.[nH+]1ccc(N(C)C)cc1
• Title of publication: Bis(4-dimethylaminopyridinium) 1,2-difluorodiphosphate
• Authors of publication: Radek Sluka; Marek Nečas; Miloš Černík
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o190 - o192
• a: 8.386 ± 0.002 Å
• b: 31.076 ± 0.006 Å
• c: 7.072 ± 0.001 Å
• α: 90°
• β: 92.13 ± 0.03°
• γ: 90°
• Cell volume: 1841.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes