Information card for entry 7104569

Structure parameters

• Formula: C54.5 H71 Cl2 N2 O0.5 P Ru
• Calculated formula: C54.5 H69 Cl2 N2 O0.5 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: 11.9635 ± 0.0001 Å
• b: 12.3613 ± 0.0002 Å
• c: 17.5395 ± 0.0002 Å
• α: 78.1999 ± 0.0007°
• β: 77.4826 ± 0.0008°
• γ: 76.6149 ± 0.0008°
• Cell volume: 2430.64 ± 0.05 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No