Information card for entry 1008786

Structure parameters

• Common name: Urea
• Chemical name: Urea
• Mineral name: Urea
• Formula: C H4 N2 O
• Calculated formula: C H4 N2 O
• SMILES: C(=O)(N)N
• Title of publication: Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K
• Authors of publication: Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C
• Journal of publication: Zeitschrift fuer Kristallographie (149,1979-)
• Year of publication: 1980
• Journal volume: 153
• Pages of publication: 237 - 254
• a: 5.578 ± 0.005 Å
• b: 5.578 ± 0.005 Å
• c: 4.695 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 146.1 ų
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.033
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No