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Information card for entry 4122536
Preview
Coordinates | 4122536.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H34 N2 Ru |
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Calculated formula | C29 H34 N2 Ru |
SMILES | C12N([C]34=[C]5(C[Ru]=2678945[c]2([c]6(C)[c]7([c]8(C)[c]92C)C)C)C=CC=C3C)C=CN1c1c(C)cccc1C |
Title of publication | Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf. |
Authors of publication | Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 32 |
Pages of publication | 11473 - 11482 |
a | 9.3027 ± 0.0004 Å |
b | 19.5605 ± 0.0008 Å |
c | 13.5408 ± 0.0006 Å |
α | 90° |
β | 94.688 ± 0.002° |
γ | 90° |
Cell volume | 2455.71 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0695 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4122536.html
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