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Information card for entry 4080798
Preview
Coordinates | 4080798.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H33 N2 O P Ru |
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Calculated formula | C23 H33 N2 O P Ru |
SMILES | [RuH]123([P](Cc4[n]1c(C(c1[n]2cccc1)(C3)C)ccc4)(C(C)(C)C)C(C)(C)C)C#[O] |
Title of publication | PNN Ruthenium Pincer Complexes Based on Phosphinated 2,2′-Dipyridinemethane and 2,2′-Oxobispyridine. Metal‒Ligand Cooperation in Cyclometalation and Catalysis |
Authors of publication | Barrios-Francisco, Rigoberto; Balaraman, Ekambaram; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 2973 |
a | 8.5498 ± 0.0001 Å |
b | 16.4923 ± 0.0003 Å |
c | 15.8575 ± 0.0003 Å |
α | 90° |
β | 101.561 ± 0.001° |
γ | 90° |
Cell volume | 2190.64 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0621 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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