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Information card for entry 4089156
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Coordinates | 4089156.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ru-4n |
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Formula | C37 H40 Cl2 N2 Ru S2 |
Calculated formula | C37 H40 Cl2 N2 Ru S2 |
SMILES | [Ru]123(Sc4ccccc4S1)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=Cc1ccccc1[CH]2=[CH2]3.C(Cl)Cl |
Title of publication | Pentacoordinate Ruthenium(II) Catecholthiolate and Mercaptophenolate Catalysts for Olefin Metathesis: Anionic Ligand Exchange and Ease of Initiation |
Authors of publication | Mikus, Malte S.; Torker, Sebastian; Xu, Chaofan; Li, Bo; Hoveyda, Amir H. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 22 |
Pages of publication | 3878 |
a | 8.4562 ± 0.0003 Å |
b | 12.3417 ± 0.0004 Å |
c | 17.4107 ± 0.0006 Å |
α | 88.469 ± 0.001° |
β | 86.779 ± 0.001° |
γ | 73.987 ± 0.001° |
Cell volume | 1743.67 ± 0.1 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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4089156.html
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