Information card for entry 4065901

Structure parameters

• Formula: C55 H62 Cl2 O3 P2 Ru
• Calculated formula: C55 H62 Cl2 O3 P2 Ru
• SMILES: [Ru]123([P](c4c(O1)cccc4)(C14CC5CC(CC(C1)C5)C4)c1ccccc1)([P](c1ccccc1O2)(C12CC4CC(CC(C1)C4)C2)c1ccccc1)[O](c1c(C=3)cccc1)C(C)C.ClCCl
• Title of publication: Tuning the Steric Properties of a Metathesis Catalyst for Copolymerization of Norbornene and Cyclooctene toward Complete Alternation
• Authors of publication: Torker, Sebastian; Müller, Andre; Sigrist, Raphael; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2735
• a: 15.5132 ± 0.0003 Å
• b: 19.3796 ± 0.0004 Å
• c: 15.9391 ± 0.0003 Å
• α: 90°
• β: 95.7919 ± 0.001°
• γ: 90°
• Cell volume: 4767.46 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No