Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7208833
Preview
| Coordinates | 7208833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis(N,N-Dimethylurea) oxalic acid |
|---|---|
| Chemical name | bis(N,N-Dimethylurea) ethanedioic acid |
| Formula | C4 H9 N2 O3 |
| Calculated formula | C4 H9 N2 O3 |
| Title of publication | Temperature dependent solid-state proton migration in dimethylurea-oxalic acid complexes. |
| Authors of publication | Jones, Andrew O. F.; Lemée-Cailleau, Marie-Hélène; Martins, David M. S.; McIntyre, Garry J.; Oswald, Iain D. H.; Pulham, Colin R.; Spanswick, Christopher K.; Thomas, Lynne H.; Wilson, Chick C. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 38 |
| Pages of publication | 13273 - 13283 |
| a | 7.8936 ± 0.0004 Å |
| b | 6.4695 ± 0.0003 Å |
| c | 13.8871 ± 0.0007 Å |
| α | 90° |
| β | 112.474 ± 0.003° |
| γ | 90° |
| Cell volume | 655.32 ± 0.06 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| 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 | 0.0684 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208833.cif |
| 180419 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/88. |
7208833.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208833.cif |
| 71495 | 2013-01-20 | cif/ Adding structures of 7208825, 7208826, 7208827, 7208828, 7208829, 7208830, 7208831, 7208832, 7208833, 7208834 via cif-deposit CGI script. |
7208833.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.