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Information card for entry 4089147
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Coordinates | 4089147.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ru-4c |
---|---|
Formula | C45 H53 N3 O3 Ru S3 |
Calculated formula | C45 H53 N3 O3 Ru S3 |
SMILES | [Ru]12(Sc3ccccc3S1)([O](c1c(C=2)cc(S(=O)(=O)N(C)C)cc1)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1 |
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 | 18.6401 ± 0.0006 Å |
b | 17.0928 ± 0.0005 Å |
c | 26.7711 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8529.6 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0686 |
Weighted residual factors for all reflections included in the refinement | 0.0722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4089147.html
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