Information card for entry 4087493

Structure parameters

• Formula: C44.63 H64.76 N2 O3.69 Ru
• Calculated formula: C44.628 H64.762 N2 O3.689 Ru
• Title of publication: Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups
• Authors of publication: Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2858
• a: 11.7033 ± 0.0005 Å
• b: 32.0649 ± 0.0013 Å
• c: 11.981 ± 0.0005 Å
• α: 90°
• β: 116.382 ± 0.002°
• γ: 90°
• Cell volume: 4027.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No