Information card for entry 4113500

Structure parameters

• Formula: C37 H67 Cl O P2 Ru
• Calculated formula: C37 H67 Cl O P2 Ru
• Title of publication: Synthesis and Activity of Ruthenium Alkylidene Complexes Coordinated with Phosphine and N-Heterocyclic Carbene Ligands
• Authors of publication: Tina M. Trnka; John P. Morgan; Melanie S. Sanford; Thomas E. Wilhelm; Matthias Scholl; Tae-Lim Choi; Sheng Ding; Michael W. Day; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2546 - 2558
• a: 9.8362 ± 0.0007 Å
• b: 10.226 ± 0.0007 Å
• c: 10.8212 ± 0.0008 Å
• α: 114.171 ± 0.001°
• β: 108.499 ± 0.001°
• γ: 91.328 ± 0.001°
• Cell volume: 926.85 ± 0.11 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 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: 0.0353
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.523
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No