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Information card for entry 4083415
Preview
Coordinates | 4083415.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H35 Cl2 N3 O4 Ru |
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Calculated formula | C31 H35 Cl2 N3 O4 Ru |
SMILES | [Ru]1([O]=C(OCC)c2c(C=1)cc(N(=O)=O)cc2)(Cl)(Cl)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(C)cc(C)cc1C |
Title of publication | Impact of Electronic Modification of the Chelating Benzylidene Ligand incis-Dichloro-Configured Second-Generation Olefin Metathesis Catalysts on Their Activity |
Authors of publication | Pump, Eva; Poater, Albert; Zirngast, Michaela; Torvisco, Ana; Fischer, Roland; Cavallo, Luigi; Slugovc, Christian |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2806 |
a | 8.1955 ± 0.0003 Å |
b | 11.4563 ± 0.0004 Å |
c | 17.342 ± 0.0008 Å |
α | 101.894 ± 0.002° |
β | 100.549 ± 0.002° |
γ | 105.261 ± 0.002° |
Cell volume | 1487.73 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0439 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083415.html
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Users of the data should acknowledge the original authors of the
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