Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080904
Preview
| Coordinates | 4080904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H65 Au3 Cl3 Cu F6 O3 P4 |
|---|---|
| Calculated formula | C59 H65 Au3 Cl3 Cu F6 O3 P4 |
| Title of publication | Toward Luminescence Vapochromism of Tetranuclear AuI–CuIClusters |
| Authors of publication | Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 15 |
| Pages of publication | 4061 |
| a | 14.9267 ± 0.0009 Å |
| b | 16.8107 ± 0.0011 Å |
| c | 17.3211 ± 0.0011 Å |
| α | 117.475 ± 0.001° |
| β | 110.611 ± 0.001° |
| γ | 93.073 ± 0.001° |
| Cell volume | 3485.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1786 |
| Weighted residual factors for all reflections included in the refinement | 0.1867 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080904.cif |
| 178698 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/09. |
4080904.cif |
| 87945 | 2013-08-27 | cif/ Adding structures of 4080902, 4080903, 4080904, 4080905, 4080906, 4080907 via cif-deposit CGI script. |
4080904.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.