Information card for entry 7104570

Structure parameters

• Formula: C60 H81 Cl2 N2 P Ru
• Calculated formula: C60 H81 Cl2 N2 P Ru
• Title of publication: Improving Grubbs' II type ruthenium catalysts by appropriately modifying the N-heterocyclic carbene ligand.
• Authors of publication: Vieille-Petit, Ludovic; Luan, Xinjun; Gatti, Michele; Blumentritt, Sascha; Linden, Anthony; Clavier, Hervé; Nolan, Steven P; Dorta, Reto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3783 - 3785
• a: 10.2159 ± 0.0002 Å
• b: 12.6367 ± 0.0003 Å
• c: 21.1798 ± 0.0005 Å
• α: 97.3871 ± 0.001°
• β: 95.1677 ± 0.0013°
• γ: 102.172 ± 0.0013°
• Cell volume: 2631.12 ± 0.1 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No