Information card for entry 2005987

Structure parameters

• Chemical name: N,N,N',N'-Tetrametylethylendiammonium Cyclotetraphosphate Tetrahydrate
• Formula: C12 H44 N4 O16 P4
• Calculated formula: C12 H44 N4 O16 P4
• SMILES: C(C[NH+](C)C)[NH+](C)C.C[NH+](CC[NH+](C)C)C.P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].O.O.O.O
• Title of publication: Bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediammonium) Cyclotetraphosphate Tetrahydrate
• Authors of publication: Thabet, H.; Jouini, A.; El Hassane, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 318 - 320
• a: 8.557 ± 0.004 Å
• b: 9.064 ± 0.002 Å
• c: 10.961 ± 0.003 Å
• α: 66.83 ± 0.01°
• β: 75.36 ± 0.03°
• γ: 62.05 ± 0.02°
• Cell volume: 688 ± 0.4 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: 0.0502
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.1048
• Goodness-of-fit parameter for all reflections: 1.189
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No