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Information card for entry 2108009
Preview
| Coordinates | 2108009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211137 (current) | 2018-09-24 | cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433. |
2108009.cif |
| 188431 | 2016-11-14 | cif/ Adding structures of 2108009 via cif-deposit CGI script. |
2108009.cif |
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Users of the data should acknowledge the original authors of the
structural data.