Information card for entry 4306745

Structure parameters

• Formula: C44 H50 Cl4 Cu N4 O8 Pd2
• Calculated formula: C44 H50 Cl4 Cu N4 O8 Pd2
• SMILES: [O]1=C(O[Cu]234([Pd]51([N](=C(C)C=C(C)N5c1ccccc1)c1ccccc1)OC(=[O]2)C)[O]=C(O[Pd]14([N](=C(C)C=C(C)N1c1ccccc1)c1ccccc1)[O]=C(O3)C)C)C.C(Cl)Cl.C(Cl)Cl
• 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: 8.4111 ± 0.0004 Å
• b: 11.6681 ± 0.0003 Å
• c: 13.2324 ± 0.0005 Å
• α: 84.756 ± 0.002°
• β: 73.2241 ± 0.0018°
• γ: 71.043 ± 0.002°
• Cell volume: 1175.94 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No