Information card for entry 7102002

Structure parameters

• Formula: C34.5 H26.5 Cl6.5 P Pd
• Calculated formula: C34.5 H26.5 Cl6.5 P Pd
• Title of publication: Cyclopropenylidene carbene ligands in palladium C-C coupling catalysis.
• Authors of publication: Wass, Duncan F; Haddow, Mairi F; Hey, Thomas W; Orpen, A Guy; Russell, Christopher A; Wingad, Richard L; Green, Michael
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2704 - 2706
• a: 11.959 ± 0.004 Å
• b: 12.039 ± 0.004 Å
• c: 13.082 ± 0.005 Å
• α: 110.973 ± 0.014°
• β: 95.71 ± 0.02°
• γ: 99.735 ± 0.018°
• Cell volume: 1707 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No