Information card for entry 4108362

Structure parameters

• Formula: C35 H57 Cl2 N2 P Ru
• Calculated formula: C35 H57 Cl2 N2 P Ru
• SMILES: [Ru]1(Cl)(Cl)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)=C2N(CCN2CCCCC=1)c1c(cc(cc1C)C)C
• Title of publication: Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis Polymerization
• Authors of publication: Andrew J. Boydston; Yan Xia; Julia A. Kornfield; Irina A. Gorodetskaya; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12775 - 12782
• a: 9.7446 ± 0.0005 Å
• b: 11.3016 ± 0.0006 Å
• c: 16.3463 ± 0.0009 Å
• α: 84.978 ± 0.003°
• β: 82.942 ± 0.003°
• γ: 73.809 ± 0.003°
• Cell volume: 1713.03 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 2.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No