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Information card for entry 7705012
Preview
| Coordinates | 7705012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65.5 H85 P Pd S2 |
|---|---|
| Calculated formula | C65.5 H85 P Pd S2 |
| Title of publication | A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes. |
| Authors of publication | Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 28 |
| Pages of publication | 9735 - 9742 |
| a | 10.0757 ± 0.0003 Å |
| b | 16.5651 ± 0.0004 Å |
| c | 19.5789 ± 0.0006 Å |
| α | 108.639 ± 0.001° |
| β | 97.825 ± 0.002° |
| γ | 105.248 ± 0.001° |
| Cell volume | 2899.46 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254791 (current) | 2020-08-05 | cif/ Adding structures of 7705007, 7705008, 7705009, 7705010, 7705011, 7705012, 7705013, 7705014, 7705015 via cif-deposit CGI script. |
7705012.cif |
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Users of the data should acknowledge the original authors of the
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