Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1561840
Preview
| Coordinates | 1561840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H52 Gd N11 O15.5 Y |
|---|---|
| Calculated formula | C39 H50 Gd N11 O14.5 Y |
| Title of publication | Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes |
| Authors of publication | Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 17.6312 ± 0.0004 Å |
| b | 17.6312 ± 0.0004 Å |
| c | 29.2044 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9078.5 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264219 (current) | 2021-04-16 | cif/ Adding structures of 1561832, 1561833, 1561834, 1561835, 1561836, 1561837, 1561838, 1561839, 1561840, 1561841 via cif-deposit CGI script. |
1561840.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.