Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4340246
Preview
| Coordinates | 4340246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H22 Cu N5 O11 Tb |
|---|---|
| Calculated formula | C20 H22 Cu N5 O11 Tb |
| Title of publication | Synthesis, structures, and magnetic properties of tetranuclear CuII-LnIII complexes. |
| Authors of publication | Costes, Jean-Pierre; Auchel, Magali; Dahan, Françoise; Peyrou, Viviane; Shova, Sergiu; Wernsdorfer, Wolfgang |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 1924 - 1934 |
| a | 8.6821 ± 0.0017 Å |
| b | 11.848 ± 0.002 Å |
| c | 11.928 ± 0.002 Å |
| α | 81.77 ± 0.03° |
| β | 89.17 ± 0.03° |
| γ | 85.49 ± 0.03° |
| Cell volume | 1210.6 ± 0.4 Å3 |
| Cell temperature | 240 ± 2 K |
| Ambient diffraction temperature | 240 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0469 |
| Weighted residual factors for all reflections included in the refinement | 0.0484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340246.cif |
| 179505 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02. |
4340246.cif |
| 118701 | 2014-06-30 | cif/ Adding structures of 4340244, 4340245, 4340246, 4340247 via cif-deposit CGI script. |
4340246.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.