Information card for entry 2108009

Structure parameters

• Formula: C H7 N2 O5 P
• Calculated formula: C H7 N2 O5 P
• SMILES: P(=O)(O)([O-])O.OC(=[NH2+])N
• Title of publication: A single-crystal neutron-diffraction study of urea-phosphoric acid
• Authors of publication: Kostansek, Edward C.; Busing, William R.
• Journal of publication: Acta Crystallographyca B
• Year of publication: 1972
• Pages of publication: 2454 - 2459
• a: 17.6492 ± 0.0006 Å
• b: 7.482 ± 0.0003 Å
• c: 9.0018 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1188.7 ± 0.08 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.092
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.077 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No