Information card for entry 7009694

Structure parameters

• Formula: C3 H9 N Na O6 P
• Calculated formula: C3 H9 N Na O6 P
• SMILES: [Na+].[NH2+](CC(=O)[O-])CP(=O)(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: 7.121 ± 0.0004 Å
• b: 11.2074 ± 0.0007 Å
• c: 9.6687 ± 0.0008 Å
• α: 90°
• β: 98.602 ± 0.006°
• γ: 90°
• Cell volume: 762.96 ± 0.09 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: 0.0235
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No