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Information card for entry 2243339
Preview
| Coordinates | 2243339.cif |
|---|---|
| Structure factors | 2243339.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (η^4^-Cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide |
|---|---|
| Formula | C18 H28 I Ir N4 |
| Calculated formula | C18 H28 I Ir N4 |
| Title of publication | Crystal structures of (η^4^-cycloocta-1,5-diene)bis(1,3-dimethylimidazol-2-ylidene)iridium(I) iodide and (η^4^-cycloocta-1,5-diene)bis(1,3-diethylimidazol-2-ylidene)iridium(I) iodide |
| Authors of publication | Bernier, Chad M.; DuChane, Christine M.; Merola, Joseph S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 611 - 614 |
| a | 26.6519 ± 0.0004 Å |
| b | 8.307 ± 0.0002 Å |
| c | 9.7852 ± 0.0002 Å |
| α | 90° |
| β | 100.241 ± 0.002° |
| γ | 90° |
| Cell volume | 2131.9 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250123 (current) | 2020-04-04 | cif/ hkl/ Adding structures of 2243339, 2243340 via cif-deposit CGI script. |
2243339.cif 2243339.hkl |
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Users of the data should acknowledge the original authors of the
structural data.