Information card for entry 4068682

Structure parameters

• Formula: C53 H42 Cl9 P2 Rh
• Calculated formula: C53 H42 Cl9 P2 Rh
• SMILES: [Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)(Cl)=C1C(=C1c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Rhodium Complexes of Cyclopropenylidene Carbene Ligands: Synthesis, Structure, and Hydroformylation Catalysis
• Authors of publication: Green, Michael; McMullin, Claire L.; Morton, George J. P.; Orpen, A. Guy; Wass, Duncan F.; Wingad, Richard L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1476
• a: 12.8965 ± 0.0003 Å
• b: 23.6104 ± 0.0006 Å
• c: 17.0719 ± 0.0003 Å
• α: 90°
• β: 101.853 ± 0.001°
• γ: 90°
• Cell volume: 5087.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No