Information card for entry 2006093

Structure parameters

• Common name: Trisodium trimetaphosphimate monohydrate
• Chemical name: Trisodium-tri-μ-imido-cyclotriphosphate monohydrate
• Formula: H5 N3 Na3 O7 P3
• Calculated formula: H5 N3 Na3 O7 P3
• SMILES: P1(=O)([O-])NP(=O)([O-])NP(=O)([O-])N1.[Na+].[Na+].[Na+].O
• Title of publication: Trisodium Trimetaphosphimate Monohydrate
• Authors of publication: Stock, Norbert; Schnick, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 532 - 534
• a: 9.8797 ± 0.0007 Å
• b: 12.2119 ± 0.0008 Å
• c: 7.6464 ± 0.0006 Å
• α: 90°
• β: 104.394 ± 0.006°
• γ: 90°
• Cell volume: 893.58 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.0619
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No