Information card for entry 2011144

Structure parameters

• Chemical name: 1,1,3,3-tetramethyl guanidinium phosphate
• Formula: C5 H16 N3 O4 P
• Calculated formula: C5 H16 N3 O4 P
• SMILES: P(=O)([O-])(O)O.[NH2+]=C(N(C)C)N(C)C
• Title of publication: 1,1,3,3-Tetramethylguanidinium dihydrogenorthophosphate
• Authors of publication: Criado, A.; Diánez, M.J.; Pérez-Garrido, S.; Fernandes, I. M. L.; Belsley, M.; de Matos Gomes, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 888 - 889
• a: 11.225 ± 0.003 Å
• b: 10.951 ± 0.001 Å
• c: 8.43 ± 0.002 Å
• α: 90°
• β: 103.5 ± 0.01°
• γ: 90°
• Cell volume: 1007.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.1012
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.121
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes