Information card for entry 4081417

Structure parameters

• Formula: C41 H57 N2 O3.5 Ru
• Calculated formula: C41 H57 N2 O3.5 Ru
• Title of publication: Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity
• Authors of publication: Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5128
• a: 36.1581 ± 0.0016 Å
• b: 9.0333 ± 0.0004 Å
• c: 23.5476 ± 0.001 Å
• α: 90°
• β: 90.159 ± 0.002°
• γ: 90°
• Cell volume: 7691.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No