Information card for entry 7004656

Structure parameters

• Formula: C67 H90 Cl6 N8 O2 Ru2
• Calculated formula: C33.5 H45 Cl3 N4 O 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: 19.6502 ± 0.0011 Å
• b: 10.9433 ± 0.0005 Å
• c: 33.44 ± 0.002 Å
• α: 90°
• β: 104.928 ± 0.007°
• γ: 90°
• Cell volume: 6948.2 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2249
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No