Information card for entry 4101467

Structure parameters

• Formula: C22 H32 Cl2 N P Pd2
• Calculated formula: C22 H32 Cl2 N P Pd2
• Title of publication: Experimental and theoretical investigations of new dinuclear palladium complexes as precatalysts for the amination of aryl chlorides.
• Authors of publication: Christmann, Ute; Pantazis, Dimitrios A; Benet-Buchholz, Jordi; McGrady, John E; Maseras, Feliu; Vilar, Ramón
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 19
• Pages of publication: 6376 - 6390
• a: 18.9087 ± 0.0017 Å
• b: 11.3204 ± 0.0011 Å
• c: 11.4261 ± 0.001 Å
• α: 90°
• β: 109.683 ± 0.002°
• γ: 90°
• Cell volume: 2302.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No