Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552146
Preview
| Coordinates | 1552146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (n-Bu3NH)2[V(4,5-Br2-C6H2O2)3] |
|---|---|
| Chemical name | tris(4,5-dibromo-catecholato)vanadate(IV) bis-tri-n-butylammonium |
| Formula | C42 H62 Br6 N2 O6 V |
| Calculated formula | C42 H62 Br6 N2 O6 V |
| Title of publication | Nuclear-spin-pattern control of electron-spin dynamics in a series of V(iv) complexes |
| Authors of publication | Jackson, Cassidy E.; Lin, Chun-Yi; Johnson, Spencer H.; van Tol, Johan; Zadrozny, Joseph M. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.725 ± 0.0006 Å |
| b | 10.725 ± 0.0006 Å |
| c | 42.298 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4865.4 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 119.76 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1459 |
| Weighted residual factors for all reflections included in the refinement | 0.15 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217404 (current) | 2019-08-06 | cif/ Adding structures of 1552144, 1552145, 1552146 via cif-deposit CGI script. |
1552146.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.