Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7133401
Preview
| Coordinates | 7133401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N6 Ni O4 |
|---|---|
| Calculated formula | C15 H16 N6 Ni O4 |
| Title of publication | Pressure-induced single-crystal-to-single-crystal nitrite ligand isomerisation accompanied by a piezochromic effect. |
| Authors of publication | Potempa, Kinga; Paliwoda, Damian; Jarzembska, Katarzyna N.; Kamiński, Radosław; Krówczyński, Adam; Borowski, Patryk; Hanfland, Michael |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 69 |
| Pages of publication | 9194 - 9197 |
| a | 12.098 ± 0.002 Å |
| b | 9.0718 ± 0.001 Å |
| c | 12.404 ± 0.002 Å |
| α | 90.129 ± 0.012° |
| β | 104.909 ± 0.016° |
| γ | 87.038 ± 0.012° |
| Cell volume | 1313.7 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1477 |
| Residual factor for significantly intense reflections | 0.0963 |
| Weighted residual factors for significantly intense reflections | 0.2413 |
| Weighted residual factors for all reflections included in the refinement | 0.2809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.40965 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294415 (current) | 2024-09-06 | cif/ Updating files of 7133389, 7133390, 7133391, 7133392, 7133393, 7133394, 7133395, 7133396, 7133397, 7133398, 7133399, 7133400, 7133401, 7133402, 7133403, 7133404, 7133405, 7133406, 7133407 Original log message: Adding full bibliography for 7133389--7133407.cif. |
7133401.cif |
| 293530 | 2024-07-25 | cif/ Adding structures of 7133389, 7133390, 7133391, 7133392, 7133393, 7133394, 7133395, 7133396, 7133397, 7133398, 7133399, 7133400, 7133401, 7133402, 7133403, 7133404, 7133405, 7133406, 7133407 via cif-deposit CGI script. |
7133401.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.