Information card for entry 4109192

Structure parameters

• Formula: C36 H48 N2 O10 Pd2
• Calculated formula: C36 H48 N2 O10 Pd2
• SMILES: c12cc(cc(c1C=N(=[O][Pd]12[O]=C(C)O[Pd]2(c3cc(cc(c3C=N(=[O]2)C(C)(C)C)OC)OC)[O]=C(O1)C)C(C)(C)C)OC)OC.c1ccccc1
• Title of publication: Carbocyclic Carbene Ligands Derived from Aromatic Nitrones: Formation and Catalytic Activity of Their Pd(II) Complexes
• Authors of publication: Qingwei Yao; Mark Zabawa; Joyce Woo; Chong Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3088 - 3089
• a: 13.1473 ± 0.0012 Å
• b: 14.4545 ± 0.0014 Å
• c: 20.3119 ± 0.0019 Å
• α: 90°
• β: 103.38 ± 0.002°
• γ: 90°
• Cell volume: 3755.3 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No