Information card for entry 4112053

Structure parameters

• Formula: C49.27 H65 Cl5.95 N2 O2.11 P Ru
• Calculated formula: C49.2735 H65 Cl5.948 N2 O2.113 P Ru
• Title of publication: Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex
• Authors of publication: Brandon R. Galan; Milan Gembicky; Paulina M. Dominiak; Jerome B. Keister; Steven T. Diver
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15702 - 15703
• a: 14.3169 ± 0.0003 Å
• b: 21.9313 ± 0.0004 Å
• c: 33.613 ± 0.0007 Å
• α: 90°
• β: 99.536 ± 0.001°
• γ: 90°
• Cell volume: 10408.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No