Information card for entry 4071255

Structure parameters

• Common name: [Pd(allyl)(1,2-eta-P*,kP)]SbF6 (3a)
• Formula: C39 H35 F6 N O2 P Pd Sb
• Calculated formula: C39 H35 F6 N O2 P Pd Sb
• SMILES: [Pd]1234([P]5(Oc6c(c7c(cc6)cccc7)c6c(O5)ccc5ccccc65)N([C@H](C)c5ccccc5)[C@H](C)[C]51=[CH]2C=CC=C5)C[CH]3=[CH2]4.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes
• Authors of publication: Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2937
• a: 11.1708 ± 0.0003 Å
• b: 14.5431 ± 0.0004 Å
• c: 21.674 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3521.12 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No