Information card for entry 4306741

Structure parameters

• Formula: C38 H40 N4 O4 Pd2
• Calculated formula: C38 H40 N4 O4 Pd2
• SMILES: [Pd]12([O]=C(C)O[Pd]3([N](=C(C)C=C(N3c4ccccc4)C)c4ccccc4)[O]=C(O2)C)[N](=C(C)C=C(N1c1ccccc1)C)c1ccccc1
• 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: 17.044 ± 0.0005 Å
• b: 11.5241 ± 0.0004 Å
• c: 18.4938 ± 0.0004 Å
• α: 90°
• β: 97.9268 ± 0.0018°
• γ: 90°
• Cell volume: 3597.78 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No