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Information card for entry 1559138
Preview
| Coordinates | 1559138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70.18 H76.7 B Cu N6 O |
|---|---|
| Calculated formula | C70.175 H76.7 B Cu N6 O |
| 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 | 19.42866 ± 0.00014 Å |
| b | 20.15442 ± 0.00013 Å |
| c | 30.18361 ± 0.00019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11819.1 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1559138.cif |
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