Information card for entry 7033241

Structure parameters

• Formula: C63 H80 Cl N4 O2 P Ru
• Calculated formula: C63 H80 Cl N4 O2 P Ru
• Title of publication: Bis-mixed-carbene ruthenium-thiolate-alkylidene complexes: synthesis and olefin metathesis activity.
• Authors of publication: Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1724 - 1733
• a: 14.687 ± 0.002 Å
• b: 16.729 ± 0.002 Å
• c: 24.285 ± 0.003 Å
• α: 90°
• β: 101.749 ± 0.008°
• γ: 90°
• Cell volume: 5841.8 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No