Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550053
Preview
| Coordinates | 1550053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H84 N2 O8 V |
|---|---|
| Calculated formula | C50 H84 N2 O8 V |
| Title of publication | Counterion Influence on Dynamic Spin Properties in a V(IV) Complex |
| Authors of publication | Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 12.8268 ± 0.0011 Å |
| b | 21.9164 ± 0.0019 Å |
| c | 17.7812 ± 0.0015 Å |
| α | 90° |
| β | 99.648 ± 0.003° |
| γ | 90° |
| Cell volume | 4927.9 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.93 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.229 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211531 (current) | 2018-10-19 | cif/ Adding structures of 1550053, 1550054 via cif-deposit CGI script. |
1550053.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.