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Information card for entry 4088012
Preview
| Coordinates | 4088012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H66 N2 P2 Ru |
|---|---|
| Calculated formula | C39 H66 N2 P2 Ru |
| SMILES | [Ru]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#N)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#N)#[C] |
| Title of publication | Ligand Sphere Conversions in Terminal Carbide Complexes |
| Authors of publication | Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 35 |
| Journal issue | 2 |
| Pages of publication | 100 |
| a | 13.987 ± 0.0008 Å |
| b | 14.995 ± 0.0009 Å |
| c | 20.228 ± 0.0011 Å |
| α | 90° |
| β | 112.449 ± 0.002° |
| γ | 90° |
| Cell volume | 3921 ± 0.4 Å3 |
| Cell temperature | 122 ± 2 K |
| Ambient diffraction temperature | 122 ± 2 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 all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237205 (current) | 2019-11-24 | cif/ Adding structures of 4088012 via cif-deposit CGI script. |
4088012.cif |
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Users of the data should acknowledge the original authors of the
structural data.