Information card for entry 7009693

Structure parameters

• Formula: C3 H8 N Na O5.5 P
• Calculated formula: C3 H8 N Na O5.5 P
• SMILES: [Na+].P(=O)([O-])(O)C[NH2+]CC(=O)[O-].O
• Title of publication: The complex chemistry of N-(phosphonomethyl)glycine (glyphosate): preparation and characterization of the ammonium, lithium, sodium (4 polymorphs) and silver(I) complexes
• Authors of publication: Sagatys, Dalius S.; Dahlgren, Cathrine; Smith, Graham; Bott, Raymond C.; White, Jonathan M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3404
• a: 15.185 ± 0.001 Å
• b: 9.288 ± 0.002 Å
• c: 10.794 ± 0.001 Å
• α: 90°
• β: 93.428 ± 0.007°
• γ: 90°
• Cell volume: 1519.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No