Information card for entry 7205540

Structure parameters

• Formula: C50 H46 Cl6 O4 P4 Pd2
• Calculated formula: C50 H46 Cl6 O4 P4 Pd2
• Title of publication: An efficient protocol for the palladium-catalysed Suzuki‒Miyaura cross-coupling
• Authors of publication: Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; Eppinger, Jörg
• Journal of publication: Green Chemistry
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 169
• a: 8.5469 ± 0.0001 Å
• b: 15.1743 ± 0.0002 Å
• c: 20.6543 ± 0.0002 Å
• α: 90°
• β: 100.479 ± 0.0011°
• γ: 90°
• Cell volume: 2634.04 ± 0.05 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0393
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No