Information card for entry 4074450

Structure parameters

• Chemical name: (2-(2,6-di-isopropylphenylimino)-4- (2,6-di-isopropylphenylimino)pent-2-ene-N,N')-acetylacetonate- palladium(ii)
• Formula: C34 H48 N2 O2 Pd
• Calculated formula: C34 H48 N2 O2 Pd
• SMILES: CC1=[N](c2c(cccc2C(C)C)C(C)C)[Pd]2(N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)OC(=CC(=[O]2)C)C
• Title of publication: (β-Diketiminato)palladium Complexes
• Authors of publication: Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5854
• a: 35.0185 ± 0.0005 Å
• b: 10.6251 ± 0.0001 Å
• c: 20.5768 ± 0.0003 Å
• α: 90°
• β: 121.351 ± 0.001°
• γ: 90°
• Cell volume: 6538.29 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0379
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No