Information card for entry 4070951

Structure parameters

• Formula: C33 H31 Cl N4 Pd
• Calculated formula: C33 H31 Cl N4 Pd
• SMILES: [Pd]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)([n]1cn(C)c(c1c1ccccc1)c1ccccc1)Cl
• 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: 29.454 ± 0.001 Å
• b: 14.3066 ± 0.0006 Å
• c: 15.0385 ± 0.0005 Å
• α: 90°
• β: 112.939 ± 0.005°
• γ: 90°
• Cell volume: 5835.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0669
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No