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Information card for entry 4116387
Preview
| Coordinates | 4116387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H22 N2 Ru |
|---|---|
| Calculated formula | C15 H22 N2 Ru |
| SMILES | [Ru]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)N1[N]5=[C]8([CH]7=[C]61C)C |
| Title of publication | Ruthenium Complexes Bearing η5-Pyrazolato Ligands |
| Authors of publication | Jayani R. Perera; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 4536 - 4537 |
| a | 10.7505 ± 0.0006 Å |
| b | 11.1008 ± 0.0007 Å |
| c | 12.4859 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1490.06 ± 0.16 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.0509 |
| Goodness-of-fit parameter for all reflections | 0.998 |
| Goodness-of-fit parameter for significantly intense reflections | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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