Information card for entry 7037782

Structure parameters

• Formula: C19 H18 Cl2 N2 O Pd
• Calculated formula: C19 H18 Cl2 N2 O Pd
• SMILES: [Pd]1([n]2c(c3[n]1cccc3)cccc2)(c1c(cccc1)COCCCl)Cl
• Title of publication: Reactivity towards nitriles, cyanamides, and carbodiimides of palladium complexes derived from benzyl alcohol. Synthesis of a mixed Pd2Ag complex.
• Authors of publication: Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 820 - 830
• a: 9.132 ± 0.002 Å
• b: 11.578 ± 0.002 Å
• c: 17.024 ± 0.003 Å
• α: 90°
• β: 91.879 ± 0.008°
• γ: 90°
• Cell volume: 1799 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0851
• 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