Information card for entry 4070950

Structure parameters

• Formula: C34 H34 Cl2 N4 Pd2
• Calculated formula: C34 H34 Cl2 N4 Pd2
• SMILES: CC1=CC(=[N]([Pd]2(N1c1ccccc1)[Cl][Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)[Cl]2)c1ccccc1)C
• Title of publication: Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex
• Authors of publication: Hadzovic, Alen; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1290
• a: 7.4968 ± 0.0002 Å
• b: 9.9044 ± 0.0004 Å
• c: 21.6197 ± 0.0007 Å
• α: 90°
• β: 97.241 ± 0.002°
• γ: 90°
• Cell volume: 1592.49 ± 0.09 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: 0.0504
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No