Information card for entry 4083281

Structure parameters

• Formula: C62 H52 Cl4 N4 O4 P4 Pd2
• Calculated formula: C62 H52 Cl4 N4 O4 P4 Pd2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)c2ccc(n3c(C)c(nc3[P](c3occc3)(c3occc3)[Pd]([P](c3ccccc3)(c3ccccc3)c3ccc(n4c(C)c(nc4[P](c4occc4)(c4occc4)[Pd]1(Cl)Cl)C)cc3)(Cl)Cl)C)cc2
• Title of publication: Imidazole Phosphines: Synthesis, Reaction Chemistry, and Their Use in SuzukiC,CCross-Coupling Reactions
• Authors of publication: Milde, Bianca; Packheiser, Rico; Hildebrandt, Stefanie; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3661
• a: 13.4466 ± 0.0009 Å
• b: 19.1778 ± 0.001 Å
• c: 12.0298 ± 0.0011 Å
• α: 90°
• β: 109.351 ± 0.009°
• γ: 90°
• Cell volume: 2926.9 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.1066
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.687
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No