Information card for entry 4065607

Structure parameters

• Formula: C28 H31 I N2 O5 P2 Pd
• Calculated formula: C28 H31 I N2 O5 P2 Pd
• SMILES: I[Pd]12[P@]3(Oc4c2c(O[P@@]21OC[C@H]1N2c2c(C1)cccc2)ccc4)OC[C@H]1N3c2c(C1)cccc2.O(CC)CC
• Title of publication: Chiral Amino Alcohol Derived Bis-phosphoramidite Pincer Palladium Complexes and Their Applications in Asymmetric Allylation of Aldimines
• Authors of publication: Li, Jie; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard; Klein Gebbink, Robertus J. M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1379
• a: 10.3714 ± 0.0003 Å
• b: 11.8544 ± 0.0002 Å
• c: 13.054 ± 0.0003 Å
• α: 89.198 ± 0.001°
• β: 84.462 ± 0.002°
• γ: 68.804 ± 0.001°
• Cell volume: 1489.01 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No