Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710955
Preview
| Coordinates | 7710955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H58.64 B2 Cl Eu N6 O17.32 P2 |
|---|---|
| Calculated formula | C30 H58.64 B2 Cl Eu N6 O17.32 P2 |
| Title of publication | Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the Electronic Structure |
| Authors of publication | Storm Thomsen, Maria; Andersen, Helene O. B.; Sørensen, Thomas Just |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 10.8019 ± 0.001 Å |
| b | 13.0077 ± 0.0013 Å |
| c | 16.9777 ± 0.0016 Å |
| α | 97.955 ± 0.004° |
| β | 96.588 ± 0.003° |
| γ | 113.624 ± 0.003° |
| Cell volume | 2126.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0583 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277229 (current) | 2022-08-13 | cif/ Adding structures of 7710955, 7710956 via cif-deposit CGI script. |
7710955.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.