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Information card for entry 1559139
Preview
| Coordinates | 1559139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H50 Cu F3 N6 O2 |
|---|---|
| Calculated formula | C45 H50 Cu F3.003 N6 O2 |
| Title of publication | Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films |
| Authors of publication | Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 19.77529 ± 0.00005 Å |
| b | 13.53091 ± 0.00004 Å |
| c | 15.04125 ± 0.00005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4024.7 ± 0.02 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256608 (current) | 2020-09-22 | cif/ Adding structures of 1559136, 1559137, 1559138, 1559139, 1559140 via cif-deposit CGI script. |
1559139.cif |
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Users of the data should acknowledge the original authors of the
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