Information card for entry 2012783

Structure parameters

• Chemical name: N-(2-hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate
• Formula: C4 H17 N2 O6 P
• Calculated formula: C4 H17 N2 O6 P
• SMILES: P(=O)([O-])([O-])O.OCC[NH2+]CC[NH3+].O
• Title of publication: <i>N</i>-(2-Hydroxyethyl)ethylenediammonium hydrogenphosphate monohydrate
• Authors of publication: Demir, Selcuk; Yilmaz, Veysel T.; Andac, Omer; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o407 - o408
• a: 7.0863 ± 0.0003 Å
• b: 28.4885 ± 0.0011 Å
• c: 4.8336 ± 0.0002 Å
• α: 90°
• β: 94.874 ± 0.001°
• γ: 90°
• Cell volume: 972.27 ± 0.07 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: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes