Information card for entry 4083736

Structure parameters

• Formula: C28 H28 N4 O8 Pd2
• Calculated formula: C28 H28 N4 O8 Pd2
• SMILES: [Pd]123([n]4c(OC)cccc4c4c1ccc(OC)n4)[Pd]1([n]4c(OC)cccc4c4c1ccc(OC)n4)([O]=C(O2)C)OC(=[O]3)C
• Title of publication: Synthesis and Characterization of Palladium(II) and Platinum(II) Adducts and Cyclometalated Complexes of 6,6′-Dimethoxy-2,2′-bipyridine: C(sp3)‒H and C(sp2)‒H Bond Activations
• Authors of publication: Cocco, Fabio; Zucca, Antonio; Stoccoro, Sergio; Serratrice, Maria; Guerri, Annalisa; Cinellu, Maria A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140624160931008
• a: 10.729 ± 0.0005 Å
• b: 13.9982 ± 0.0008 Å
• c: 20.103 ± 0.001 Å
• α: 90°
• β: 103.084 ± 0.006°
• γ: 90°
• Cell volume: 2940.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No