Information card for entry 2005632

Structure parameters

• Common name: Triammonium trimetaphosphimate monohydrate
• Chemical name: Triammonium-tri-μ-imido-cyclotriphosphate monohydrate
• Formula: H17 N6 O7 P3
• Calculated formula: H17 N6 O7 P3
• SMILES: P1(=O)([O-])NP(=O)([O-])NP(=O)([O-])N1.O.[NH4+].[NH4+].[NH4+]
• Title of publication: Triammonium Trimetaphosphimate Monohydrate
• Authors of publication: Stock, N.; Schnick, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2645 - 2647
• a: 6.5712 ± 0.0006 Å
• b: 12.9917 ± 0.0006 Å
• c: 6.9237 ± 0.0003 Å
• α: 90°
• β: 102.133 ± 0.006°
• γ: 90°
• Cell volume: 577.88 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for all reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0443
• Goodness-of-fit parameter for all reflections: 1.129
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No