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Information card for entry 7243530
Preview
| Coordinates | 7243530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cu F2 I N3 |
|---|---|
| Calculated formula | C18 H17 Cu F2 I N3 |
| Title of publication | Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations |
| Authors of publication | Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 49 |
| Pages of publication | 30841 - 30848 |
| a | 10.4747 ± 0.0002 Å |
| b | 16.568 ± 0.0004 Å |
| c | 23.0336 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3997.36 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0495 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269173 (current) | 2021-09-17 | cif/ Adding structures of 7243528, 7243529, 7243530, 7243531, 7243532 via cif-deposit CGI script. |
7243530.cif |
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Users of the data should acknowledge the original authors of the
structural data.