Information card for entry 2234629

Structure parameters

• Chemical name: 1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate
• Formula: C6 H20 F12 N2 O2 P2
• Calculated formula: C6 H20 F12 N2 O2 P2
• SMILES: C[NH+]1CC[NH+](C)CC1.[P](F)(F)(F)(F)(F)[F-].O.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: 1,4-Dimethylpiperazine-1,4-diium bis(hexafluorophosphate) dihydrate
• Authors of publication: Sun, Su-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1514
• a: 8.1382 ± 0.0016 Å
• b: 6.3666 ± 0.0013 Å
• c: 15.758 ± 0.003 Å
• α: 90°
• β: 99.55 ± 0.03°
• γ: 90°
• Cell volume: 805.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1223
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes