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Information card for entry 1559545
Preview
| Coordinates | 1559545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | mer-[Ir(en)(en*)Cl3] |
|---|---|
| Formula | C4 H16 Cl3 Ir N4 |
| Calculated formula | C4 Cl3 Ir N4 |
| SMILES | [Ir]1(Cl)(Cl)(Cl)([NH2]CC[NH2]1)[NH2]CCN |
| Title of publication | The Crystal Structures of mer-Trichloro(1,2-ethanediamine)(2-aminoethylammonium)iridium(III) Chloride Hydrate, mer-[Ir(en)(enH)Cl3]Cl.H2O, and its Conjugate Base, mer-[Ir(en)(en*)Cl3] |
| Authors of publication | Galsbol, F.; Glowiak, T.; Hammershoi, A.; Hammershoi (nee Rasmussen), B. S.; Larsen, S.; Wilgocki, M. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1990 |
| Journal volume | 44 |
| Pages of publication | 31 - 35 |
| a | 8.122 ± 0.003 Å |
| b | 9.904 ± 0.003 Å |
| c | 14.199 ± 0.004 Å |
| α | 90° |
| β | 90.97 ± 0.04° |
| γ | 90° |
| Cell volume | 1142 ± 0.6 Å3 |
| Ambient diffraction temperature | 291 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259232 (current) | 2020-11-24 | cif/ Adding structures of 1559545 via cif-deposit CGI script. |
1559545.cif |
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Users of the data should acknowledge the original authors of the
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