Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346072
Preview
| Coordinates | 4346072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C118 H102 Cu6 F12 N4 O4 P8 |
|---|---|
| Calculated formula | C118 H102 Cu6 F12 N4 O4 P8 |
| Title of publication | Luminescence Solvato- and Vapochromism of Alkynyl-Phosphine Copper Clusters. |
| Authors of publication | Krytchankou, Ilya S.; Koshevoy, Igor O.; Gurzhiy, Vladislav V.; Pomogaev, Vladimir A.; Tunik, Sergey P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 17 |
| Pages of publication | 8288 - 8297 |
| a | 12.7133 ± 0.0002 Å |
| b | 17.807 ± 0.0003 Å |
| c | 24.1678 ± 0.0002 Å |
| α | 88.5779 ± 0.001° |
| β | 81.02 ± 0.0011° |
| γ | 78.5399 ± 0.0013° |
| Cell volume | 5296.33 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1532 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4346072.cif |
| 231607 | 2019-11-22 | cif/ Adding structures of 4346071, 4346072, 4346073, 4346074, 4346075, 4346076, 4346077, 4346078, 4346079 via cif-deposit CGI script. |
4346072.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.