Information card for entry 4109423

Structure parameters

• Formula: C23 H38 Cl2 P2 Pd
• Calculated formula: C23 H38 Cl2 P2 Pd
• Title of publication: Apara-Hydrogen Investigation of Palladium-Catalyzed Alkyne Hydrogenation
• Authors of publication: Joaquín López-Serrano; Simon B. Duckett; Stuart Aiken; Karina Q. Almeida Leñero; Eite Drent; John P. Dunne; Denis Konya; Adrian C. Whitwood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6513 - 6527
• a: 11.057 ± 0.002 Å
• b: 15.655 ± 0.003 Å
• c: 14.87 ± 0.003 Å
• α: 90°
• β: 109.911 ± 0.004°
• γ: 90°
• Cell volume: 2420.1 ± 0.8 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No