Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054848
Preview
| Coordinates | 7054848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H12 Cu6 F36 N12 |
|---|---|
| Calculated formula | C36 H12 Cu6 F36 N12 |
| Title of publication | Isolable arene sandwiched copper(i) pyrazolates |
| Authors of publication | Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 5092 |
| a | 9.56 ± 0.004 Å |
| b | 12.62 ± 0.005 Å |
| c | 21.55 ± 0.008 Å |
| α | 88.897 ± 0.007° |
| β | 84.185 ± 0.007° |
| γ | 87.425 ± 0.007° |
| Cell volume | 2583.7 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.03 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7054848.cif |
| 143729 | 2015-07-11 | cif/ Updating files of 7054848, 7054849, 7054850 Original log message: Adding full bibliography for 7054848--7054850.cif. |
7054848.cif |
| 136502 | 2015-05-14 | cif/ Adding structures of 7054848, 7054849, 7054850 via cif-deposit CGI script. |
7054848.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.