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Information card for entry 2242054
Preview
| Coordinates | 2242054.cif |
|---|---|
| Structure factors | 2242054.hkl |
| Original IUCr paper | HTML |
| Common name | IrCl(1,5-cod)~2~ |
|---|---|
| Chemical name | Chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I) |
| Formula | C16 H24 Cl Ir |
| Calculated formula | C16 H24 Cl Ir |
| SMILES | [Ir]123456(Cl)([CH]7=[CH]1CC[CH]2=[CH]3CC7)[CH]1=[CH]4CC[CH]5=[CH]6CC1 |
| Title of publication | Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I) |
| Authors of publication | Rahman, A. K. Fazlur; Wilklow-Marnell, Miles; Brennessel, William W.; Jones, William D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 273 - 277 |
| a | 12.8756 ± 0.0008 Å |
| b | 13.3719 ± 0.0008 Å |
| c | 15.9033 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2738.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193928 (current) | 2017-03-05 | cif/ hkl/ Adding structures of 2242054 via cif-deposit CGI script. |
2242054.cif 2242054.hkl |
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Users of the data should acknowledge the original authors of the
structural data.