Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7230391
Preview
| Coordinates | 7230391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H35 Cl4 N4 O3 |
|---|---|
| Calculated formula | C40 H35 Cl4 N4 O3 |
| Title of publication | Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities. |
| Authors of publication | Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 16 |
| Pages of publication | 11196 - 11205 |
| a | 16.901 ± 0.003 Å |
| b | 9.2057 ± 0.0013 Å |
| c | 47.963 ± 0.008 Å |
| α | 90° |
| β | 91.149 ± 0.006° |
| γ | 90° |
| Cell volume | 7461 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1332 |
| Residual factor for significantly intense reflections | 0.1008 |
| Weighted residual factors for significantly intense reflections | 0.281 |
| Weighted residual factors for all reflections included in the refinement | 0.3125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230926 (current) | 2019-11-17 | cif/ Updating files of 7230391, 7230392 Original log message: Adding full bibliography for 7230391--7230392.cif. |
7230391.cif |
| 207191 | 2018-03-30 | cif/ Adding structures of 7230391, 7230392 via cif-deposit CGI script. |
7230391.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.