Information card for entry 7205541

Structure parameters

• Formula: C36 H44 Cl2 O2 P2 Pd2
• Calculated formula: C36 H44 Cl2 O2 P2 Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[P](Oc1c3cccc1c1ccccc1)(C(C)C)C(C)C)[P](Oc1c2cccc1c1ccccc1)(C(C)C)C(C)C
• 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: 17.6026 ± 0.0006 Å
• b: 17.6026 ± 0.0006 Å
• c: 23.747 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7358 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No