Information card for entry 4104928

Structure parameters

• Common name: MKL01
• Formula: C52 H66 O4 P2 Pd2
• Calculated formula: C52 H66 O4 P2 Pd2
• SMILES: [Pd]12([P](c3c(c4ccccc24)cccc3)(C2CCCCC2)C2CCCCC2)[O]=C(O[Pd]2([P](c3c(cccc3)c3ccccc23)(C2CCCCC2)C2CCCCC2)[O]=C(O1)C)C
• Title of publication: Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation
• Authors of publication: Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12240 - 12249
• a: 41.026 ± 0.0007 Å
• b: 13.029 ± 0.0003 Å
• c: 20.375 ± 0.0005 Å
• α: 90°
• β: 99.81 ± 0.0007°
• γ: 90°
• Cell volume: 10731.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No