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Information card for entry 1558396
Preview
| Coordinates | 1558396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane) |
|---|---|
| Formula | C12 H38.5 Cl3.5 Ir N6 O4 |
| Calculated formula | C12 H30 Cl3.5 Ir N6 O4 |
| Title of publication | Preparation, Isolation and Characterization of fac-[Ir(tacn)(H2O)3](CF3SO3)3, fac-[Ir(tacn)(CF3SO3)3] and [Ir(tacn)2]Cl3.1/2HCl.4H2O. Crystal Structure of [Ir(tacn)2]Cl3.1/2HCl.4H2O (tacn = 1,4,7-Triazacyclononane) |
| Authors of publication | Flensburg, Claus; Simonsen, Kim; Skov, Lars Kobberoe |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 209 - 214 |
| a | 8.043 ± 0.002 Å |
| b | 8.043 ± 0.002 Å |
| c | 31.821 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1782.7 ± 0.8 Å3 |
| Ambient diffraction temperature | 122 K |
| Number of distinct elements | 6 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253356 (current) | 2020-06-23 | cif/ Adding structures of 1558396 via cif-deposit CGI script. |
1558396.cif |
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