Information card for entry 2009104

Structure parameters

• Chemical name: Tetrakis(Cyclopropylammonium)Cyclotetraphosphate Tetrahydrate
• Formula: C12 H40 N4 O16 P4
• Calculated formula: C12 H40 N4 O16 P4
• SMILES: C1(CC1)[NH3+].C1(CC1)[NH3+].P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].O.O.C1(CC1)[NH3+].C1(CC1)[NH3+].O.O
• Title of publication: Tetrakis(cyclopropylammonium) cyclotetraphosphate tetrahydrate
• Authors of publication: Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed; Jouini, Tahar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1932 - 1934
• a: 8.045 ± 0.002 Å
• b: 18.037 ± 0.002 Å
• c: 10.056 ± 0.001 Å
• α: 90°
• β: 99.27 ± 0.01°
• γ: 90°
• Cell volume: 1440.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No