Information card for entry 7101552

Structure parameters

• Formula: C44 H50 Cl6 F12 N4 Pd2 Sb2
• Calculated formula: C44 H50 Cl6 F12 N4 Pd2 Sb2
• SMILES: c1(cccc2c3ccc4[C@@H]5C[C@H]([C@@H](c4[n]3[Pd]34([n]12)C[CH]3=[CH2]4)C)C5(C)C)c1cccc2c3ccc4[C@@H]5C[C@H]([C@@H](c4[n]3[Pd]34([n]12)C[CH]3=[CH2]4)C)C5(C)C.[F-][Sb](F)(F)(F)(F)F.C(Cl)(Cl)Cl.[F-][Sb](F)(F)(F)(F)[F-].C(Cl)(Cl)Cl
• Title of publication: Stereoselective formation of a single-stranded helicate: Structure of a bis(Palladium-allyl)quaterpyridine complex and its use in catalytic enantioselective allylic substitution
• Authors of publication: Hoi Lun Kwong; Ho-Lun Yeung; Wing-Sze Lee; Wing-Tak Wong
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 46
• a: 16.179 ± 0.013 Å
• b: 15.653 ± 0.012 Å
• c: 10.866 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751.7 ± 3.7 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No