Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557278
Preview
| Coordinates | 1557278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H68 D3 Eu N2 O6 |
|---|---|
| Calculated formula | C55 H68 D3 Eu N2 O6 |
| Title of publication | Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions. |
| Authors of publication | Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I. |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2020 |
| a | 12.3206 ± 0.0004 Å |
| b | 27.4776 ± 0.0009 Å |
| c | 17.5732 ± 0.0006 Å |
| α | 90° |
| β | 104.527 ± 0.0014° |
| γ | 90° |
| Cell volume | 5759 ± 0.3 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248011 (current) | 2020-02-11 | cif/ Adding structures of 1557278 via cif-deposit CGI script. |
1557278.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.