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Information card for entry 1558921
Preview
| Coordinates | 1558921.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane) |
|---|---|
| Formula | C6 H15 Cl3 Ir N3 |
| Calculated formula | C6 Cl3 Ir N3 |
| SMILES | [Ir]12(Cl)(Cl)(Cl)[NH]3CC[NH]1CC[NH]2CC3 |
| Title of publication | The Preparation and Crystal Structure of fac-[Ir(tacn)Cl3] (tacn = 1,4,7-triazacyclononane) and the Preparation of Cs[Ir(H2O)6](SO4)2.6H2O |
| Authors of publication | Gajhede, Michael; Simonsen, Kim; Skov, Lars Kobberoe |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 271 - 274 |
| a | 12.0487 ± 0.0015 Å |
| b | 7.969 ± 0.002 Å |
| c | 10.9735 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1053.6 ± 0.3 Å3 |
| Ambient diffraction temperature | 122 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255689 (current) | 2020-08-27 | cif/ Adding structures of 1558921 via cif-deposit CGI script. |
1558921.cif |
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Users of the data should acknowledge the original authors of the
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