Information card for entry 7049552

Structure parameters

• Formula: C35 H39 N2 O3 Ru S2
• Calculated formula: C35 H39 N2 O3 Ru S2
• Title of publication: A 3,4-dimercapto-3-cyclobutene-1,2-dione-chelated ruthenium carbene catalyst for Z-stereoretentive/stereoselective olefin metathesis.
• Authors of publication: Wang, Tao; Xie, Qingxiao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Wang, Jianhui; Wu, Botao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6473 - 6483
• a: 19.3991 ± 0.0004 Å
• b: 11.4101 ± 0.0002 Å
• c: 31.8762 ± 0.0007 Å
• α: 90°
• β: 103.192 ± 0.002°
• γ: 90°
• Cell volume: 6869.5 ± 0.2 ų
• Cell temperature: 135 ± 0.1 K
• Ambient diffraction temperature: 135 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0705
• 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 probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No