Information card for entry 4079408

Structure parameters

• Formula: C47 H51 Cl2 N3 Ru
• Calculated formula: C47 H51 Cl2 N3 Ru
• SMILES: [Ru](Cl)(Cl)([n]1ccccc1)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1C=C(c2ccccc12)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: 12.73 ± 0.003 Å
• b: 20.795 ± 0.005 Å
• c: 15.631 ± 0.004 Å
• α: 90°
• β: 93.758 ± 0.003°
• γ: 90°
• Cell volume: 4128.9 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No