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Information card for entry 2232524
Preview
Coordinates | 2232524.cif |
---|---|
Structure factors | 2232524.hkl |
Original IUCr paper | HTML |
Chemical name | [1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2- ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II) |
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Formula | C16 H23 Cl2 N3 O2 Ru S |
Calculated formula | C16 H23 Cl2 N3 O2 Ru S |
SMILES | c1cccc2CN3C=CN(C3=[Ru](C#[O])(Cl)(Cl)([n]12)[S](C)(C)=O)C(C)(C)C |
Title of publication | [1-<i>tert</i>-Butyl-3-(pyridin-2-ylmethyl-κ<i>N</i>)imidazol-2-ylidene-κ<i>C</i>^1^]carbonyldichlorido(dimethyl sulfoxide-κ<i>S</i>)ruthenium(II) |
Authors of publication | Cheng, Yong; Hua, Wen-Qian; Zhou, Ying-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1573 |
a | 14.3297 ± 0.0014 Å |
b | 15.7428 ± 0.0016 Å |
c | 17.1867 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3877.1 ± 0.7 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.1098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2232524.html
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Users of the data should acknowledge the original authors of the
structural data.