Information card for entry 2005347

Structure parameters

• Chemical name: N,N,N',N'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate
• Formula: C6 H24 N2 O9 P2
• Calculated formula: C6 H24 N2 O9 P2
• SMILES: C(C[NH+](C)C)[NH+](C)C.P(=O)([O-])(O)OP(=O)([O-])O.O.O
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium Dihydrogendiphosphate Dihydrate
• Authors of publication: Gharbi, A.; Charfi, M.; Jouini, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2246 - 2248
• a: 8.407 ± 0.002 Å
• b: 9.181 ± 0.002 Å
• c: 10.95 ± 0.003 Å
• α: 69.03 ± 0.01°
• β: 68.57 ± 0.02°
• γ: 77.71 ± 0.01°
• Cell volume: 731.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.0754
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No