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Information card for entry 1008787
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| Coordinates | 1008787.cif |
|---|
| 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 | 5.572 ± 0.008 Å |
| b | 5.572 ± 0.008 Å |
| c | 4.686 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 145.5 Å3 |
| Ambient diffraction temperature | 60 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 | 0.034 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.