Information card for entry 4113501

Structure parameters

• Formula: C40.5 H59 Cl2 N2 O P Ru
• Calculated formula: C40.5 H59 Cl2 N2 O P 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: 10.2758 ± 0.0009 Å
• b: 13.0394 ± 0.0011 Å
• c: 14.7233 ± 0.0013 Å
• α: 92.336 ± 0.002°
• β: 103.428 ± 0.001°
• γ: 91.814 ± 0.001°
• Cell volume: 1915.5 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No