Information card for entry 4070256

Structure parameters

• Formula: C53 H52 Au Cl3 O2 P4 Pd
• Calculated formula: C53 H44 Au Cl3 O2 P4 Pd
• Title of publication: Synthesis and Structure of the First Heterodinuclear PCP−Pincer−CDP Complex with a Pd−Au d8−d10Pseudo-Closed-Shell Interaction
• Authors of publication: Reitsamer, Christian; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6617
• a: 12.6502 ± 0.0001 Å
• b: 20.0992 ± 0.0003 Å
• c: 20.2354 ± 0.0002 Å
• α: 90°
• β: 90.62 ± 0.001°
• γ: 90°
• Cell volume: 5144.73 ± 0.1 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No