Information card for entry 7004655

Structure parameters

• Formula: C48 H71 Cl2 N4 P Ru
• Calculated formula: C48 H71 Cl2 N4 P Ru
• Title of publication: Olefin metathesis catalysts bearing a pH-responsive NHC ligand: a feasible approach to catalyst separation from RCM products
• Authors of publication: Balof, Shawna L.; P'Pool, Steven J.; Berger, Nancy J.; Valente, Edward J.; Shiller, Alan M.; Schanz, Hans-Jörg
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 42
• Pages of publication: 5791 - 5799
• a: 9.6949 ± 0.0005 Å
• b: 13.969 ± 0.002 Å
• c: 17.508 ± 0.0007 Å
• α: 99.287 ± 0.007°
• β: 99.451 ± 0.004°
• γ: 90.001 ± 0.007°
• Cell volume: 2307.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No