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Information card for entry 7054849
Preview
| Coordinates | 7054849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H15 Cu3 F18 N6 |
|---|---|
| Calculated formula | C24 H15 Cu3 F18 N6 |
| SMILES | c1(cc(C(F)(F)F)[n]2n1[Cu][n]1c(cc(C(F)(F)F)n1[Cu][n]1c(cc(C(F)(F)F)n1[Cu]2)C(F)(F)F)C(F)(F)F)C(F)(F)F.c1(cc(cc(c1)C)C)C |
| 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 | 19.975 ± 0.002 Å |
| b | 19.975 ± 0.002 Å |
| c | 13.2744 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4586.9 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7054849.cif |
| 203907 | 2017-12-03 | cif/ Updating space group information in entries 1544665, 1544717, 2001370, 2240504, 4032274, 4085252, 4085253, 4085517, 5900015, 7041312, 7042093, 7042096, 7044002, 7054849, 7112975. |
7054849.cif |
| 143729 | 2015-07-11 | cif/ Updating files of 7054848, 7054849, 7054850 Original log message: Adding full bibliography for 7054848--7054850.cif. |
7054849.cif |
| 136502 | 2015-05-14 | cif/ Adding structures of 7054848, 7054849, 7054850 via cif-deposit CGI script. |
7054849.cif |
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