Information card for entry 2232524

Structure parameters

• 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)
• 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 ų
• 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