Information card for entry 4070803

Structure parameters

• Common name: Resolved Pd bis(ADC) dibromide
• Formula: C34 H36 Br2 F6 N4 O2 Pd
• Calculated formula: C34 H36 Br2 F6 N4 O2 Pd
• Title of publication: Chiral Palladium Bis(acyclic diaminocarbene) Complexes as Enantioselective Catalysts for the Aza-Claisen Rearrangement
• Authors of publication: Wanniarachchi, Yoshitha A.; Kogiso, Yuri; Slaughter, LeGrande M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 21
• a: 8.8307 ± 0.0011 Å
• b: 13.1779 ± 0.0015 Å
• c: 30.571 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3557.5 ± 0.8 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No