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Information card for entry 4517818
Preview
| Coordinates | 4517818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53.2 H48.8 Cl2 Ir N4 O2 P2 |
|---|---|
| Calculated formula | C53.2 H37 Cl2 Ir N4 O2 P2 |
| Title of publication | Synthesis of IrIII Hydrido Complexes by Oxidative Addition of Halogenated Theophylline and Adenine Derivatives |
| Authors of publication | Blumenberg, Jonas; Kampert, Florian; Hepp, Alexander; Hahn, F. Ekkehardt |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 31.4221 ± 0.0009 Å |
| b | 18.4724 ± 0.0005 Å |
| c | 18.3313 ± 0.0006 Å |
| α | 90° |
| β | 96.855 ± 0.001° |
| γ | 90° |
| Cell volume | 10564.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253572 (current) | 2020-07-01 | cif/ Adding structures of 4517818 via cif-deposit CGI script. |
4517818.cif |
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Users of the data should acknowledge the original authors of the
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