Information card for entry 7034259

Structure parameters

• Formula: C31 H30 Cl2 N2 O Ru
• Calculated formula: C31 H30 Cl2 N2 O Ru
• Title of publication: Ruthenium catalysts bearing a benzimidazolylidene ligand for the metathetical ring-closure of tetrasubstituted cycloolefins.
• Authors of publication: Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9744 - 9755
• a: 14.5764 ± 0.0006 Å
• b: 16.7449 ± 0.0007 Å
• c: 12.2037 ± 0.0005 Å
• α: 90°
• β: 112.151 ± 0.002°
• γ: 90°
• Cell volume: 2758.8 ± 0.2 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No