Information card for entry 4306746

Structure parameters

• Formula: C46 H54 N4 O9 Pd2 Zn
• Calculated formula: C46 H54 N4 O9 Pd2 Zn
• SMILES: [Pd]12(N(C(=CC(=[N]2c2ccccc2)C)C)c2ccccc2)[O]=C(O[Zn]2(OC(C)=[O][Pd]3([O]=C(O2)C)N(C(=CC(=[N]3c2ccccc2)C)C)c2ccccc2)OC(=[O]1)C)C.O1CCCC1
• Title of publication: Syntheses, Structures, and Reactivities of Novel Palladium β-Diiminato-Acetate Complexes
• Authors of publication: Alen Hadzovic; Datong Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12010 - 12017
• a: 28.9299 ± 0.0008 Å
• b: 17.8215 ± 0.0005 Å
• c: 17.8255 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9190.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No