Information card for entry 1502968

Structure parameters

• Formula: C40 H52 Cl10 O6 P2 Pd2
• Calculated formula: C40 H52 Cl10 O6 P2 Pd2
• SMILES: [Pd]1([Cl][Pd]([Cl]1)(Cl)[P@@](Cl)(C(C)(C)C)c1ccccc1c1c(OC)cc(OC)cc1OC)(Cl)[P@](Cl)(C(C)(C)C)c1ccccc1c1c(OC)cc(OC)cc1OC.ClCCl.ClCCl
• Title of publication: Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.
• Authors of publication: Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2298 - 2301
• a: 11.809 ± 0.002 Å
• b: 8.9905 ± 0.0018 Å
• c: 23.562 ± 0.005 Å
• α: 90°
• β: 94.76 ± 0.03°
• γ: 90°
• Cell volume: 2492.9 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.0977
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No