Information card for entry 2207603

Structure parameters

• Chemical name: 1,1,4,7,7-Pentamethyldiethylenetriammonium bis(hexafluorophosphate)
• Formula: C9 H25 F12 N3 P2
• Calculated formula: C9 H25 F12 N3 P2
• SMILES: [NH+](CCN(CC[NH+](C)C)C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 1,1,4,7,7-Pentamethyldiethylenetriammonium bis(hexafluorophosphate)
• Authors of publication: Morawitz, Thorsten; Lerner, Hans-Wolfram; Bru Roig, Miriam; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4367 - o4368
• a: 8.731 ± 0.0005 Å
• b: 12.7348 ± 0.0005 Å
• c: 17.2366 ± 0.001 Å
• α: 90°
• β: 99.44 ± 0.005°
• γ: 90°
• Cell volume: 1890.54 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes