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Information card for entry 4089161
Preview
Coordinates | 4089161.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ru-6d |
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Formula | C43 H54 N2 O2 Ru S |
Calculated formula | C43 H54 N2 O2 Ru S |
SMILES | [Ru]12(Sc3c(O1)cccc3)([O](c1c(C=2)cccc1)C(C)C)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
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 | 25.2661 ± 0.0009 Å |
b | 11.9359 ± 0.0005 Å |
c | 25.992 ± 0.001 Å |
α | 90° |
β | 100.357 ± 0.001° |
γ | 90° |
Cell volume | 7710.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.023 |
Residual factor for significantly intense reflections | 0.0223 |
Weighted residual factors for significantly intense reflections | 0.0556 |
Weighted residual factors for all reflections included in the refinement | 0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
238010 (current) | 2019-11-24 | cif/ Adding structures of 4089147, 4089148, 4089149, 4089150, 4089151, 4089152, 4089153, 4089154, 4089155, 4089156, 4089157, 4089158, 4089159, 4089160, 4089161, 4089162 via cif-deposit CGI script. |
4089161.cif |
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Users of the data should acknowledge the original authors of the
structural data.