Information card for entry 7015803

Structure parameters

• Formula: C33 H23 Cl2 F2 P Pd
• Calculated formula: C33 H23 Cl2 F2 P Pd
• SMILES: [Pd](=C1C(=C1c1ccc(F)cc1)c1ccc(F)cc1)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.
• Authors of publication: Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5316 - 5323
• a: 9.9931 ± 0.0006 Å
• b: 14.9088 ± 0.0009 Å
• c: 18.2358 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2716.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No