Information card for entry 4113245

Structure parameters

• Formula: C43 H44 B N P2 Pd
• Calculated formula: C43 H44 B N P2 Pd
• Title of publication: Synthetic, Structural, and Mechanistic Aspects of an Amine Activation Process Mediated at a Zwitterionic Pd(II) Center
• Authors of publication: Connie C. Lu; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15818 - 15832
• a: 11.6163 ± 0.001 Å
• b: 29.268 ± 0.002 Å
• c: 11.5305 ± 0.0009 Å
• α: 90°
• β: 113.573 ± 0.001°
• γ: 90°
• Cell volume: 3593.1 ± 0.5 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.607
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No