Information card for entry 4088117

Structure parameters

• Formula: C10 H15 Cl N2 O Pd
• Calculated formula: C10 H15 Cl N2 O Pd
• SMILES: [Pd]1([N](CCOC)=Cc2[n]1cccc2)(Cl)C
• Title of publication: Potential Hemilabile (Imino)pyridine Palladium(II) Complexes as Selective Ethylene Dimerization Catalysts: An Experimental and Theoretical Approach
• Authors of publication: Nyamato, George S.; Ojwach, Stephen O.; Akerman, Matthew P.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5647
• a: 8.535 ± 0.002 Å
• b: 9.051 ± 0.003 Å
• c: 9.068 ± 0.002 Å
• α: 65.93 ± 0.01°
• β: 66.01 ± 0.02°
• γ: 73.24 ± 0.02°
• Cell volume: 578 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No