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Information card for entry 7054850
Preview
| Coordinates | 7054850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H11 Cu3 F18 N6 |
|---|---|
| Calculated formula | C25 H11 Cu3 F18 N6 |
| 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 | 11.7936 ± 0.0011 Å |
| b | 12.4534 ± 0.0011 Å |
| c | 12.7263 ± 0.0011 Å |
| α | 109.803 ± 0.002° |
| β | 117.447 ± 0.002° |
| γ | 95.807 ± 0.002° |
| Cell volume | 1484.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0235 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7054850.cif |
| 143729 | 2015-07-11 | cif/ Updating files of 7054848, 7054849, 7054850 Original log message: Adding full bibliography for 7054848--7054850.cif. |
7054850.cif |
| 136502 | 2015-05-14 | cif/ Adding structures of 7054848, 7054849, 7054850 via cif-deposit CGI script. |
7054850.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.