Information card for entry 7034261

Structure parameters

• Formula: C119 H112 N8
• Calculated formula: C119 H112 N8
• 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: 11.6641 ± 0.0008 Å
• b: 31.857 ± 0.003 Å
• c: 13.0216 ± 0.001 Å
• α: 90°
• β: 110.406 ± 0.003°
• γ: 90°
• Cell volume: 4535 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.1485
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No