Information card for entry 4079405

Structure parameters

• Formula: C138 H117 Cl2 N2 P Ru
• Calculated formula: C138 H117 Cl2 N2 P Ru
• SMILES: [Ru](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)=C1C=C(c2ccccc12)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr
• Authors of publication: Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6514
• a: 14.205 ± 0.005 Å
• b: 13.076 ± 0.005 Å
• c: 56.49 ± 0.02 Å
• α: 90°
• β: 96.721 ± 0.007°
• γ: 90°
• Cell volume: 10421 ± 7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.2984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No