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Information card for entry 7044277
Preview
| Coordinates | 7044277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 Cl2 Ir S2 |
|---|---|
| Calculated formula | C16 H17 Cl2 Ir S2 |
| SMILES | [Ir]12345(Sc6c(S1)c(Cl)ccc6Cl)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands |
| Authors of publication | Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 8.4853 ± 0.0007 Å |
| b | 13.8473 ± 0.0013 Å |
| c | 29.535 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3470.3 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.01 K |
| Number of distinct elements | 5 |
| 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 | 0.0752 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201056 (current) | 2017-09-20 | cif/ Adding structures of 7044276, 7044277, 7044278, 7044279 via cif-deposit CGI script. |
7044277.cif |
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Users of the data should acknowledge the original authors of the
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