Information card for entry 4081082

Structure parameters

• Formula: C42 H36 N2 O5 Pd2 Ru2
• Calculated formula: C42 H36 N2 O5 Pd2 Ru2
• Title of publication: Regioselective Cyclometalation of Planar Chiral Pyridine and Oxazoline Derivatives:peri- versusortho-C‒H Functionalization
• Authors of publication: Mercier, Audrey; Wagschal, Simon; Guénée, Laure; Besnard, Céline; Kündig, E. Peter
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3932
• a: 11.51 ± 0.0007 Å
• b: 17.971 ± 0.001 Å
• c: 18.1919 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3762.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No