Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7215758
Preview
| Coordinates | 7215758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H17 N5 O2 |
|---|---|
| Calculated formula | C9 H17 N5 O2 |
| Title of publication | Lutidine Adducts of Urea: Molecular Mechanisms for Twinning Effects on Cooling |
| Authors of publication | Jones, P. G.; Taouss, Christina |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| a | 21.7368 ± 0.0015 Å |
| b | 7.2102 ± 0.0006 Å |
| c | 15.5904 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2443.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 39 |
| Hermann-Mauguin space group symbol | A b m 2 |
| Hall space group symbol | A 2 -2b |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180488 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/57. |
7215758.cif |
| 112953 | 2014-05-07 | cif/ Adding structures of 7215755, 7215756, 7215757, 7215758, 7215759 via cif-deposit CGI script. |
7215758.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.