Information card for entry 4079415

Structure parameters

• Formula: C20 H19 Cl N2 O5 Pd
• Calculated formula: C20 H19 Cl N2 O5 Pd
• SMILES: [Pd]12(c3c(C(C)=[N]2OC(=C1C(=O)OC)C(=O)OC)cccc3)[n]1ccccc1CCl
• Title of publication: From ChelateC,N-Cyclopalladated Oximes toC,N,N′-,C,N,S-, orC,N,C′-Pincer Palladium(II) Complexes by Formation of Oxime Ether Ligands
• Authors of publication: Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7434
• a: 10.2224 ± 0.0006 Å
• b: 10.3319 ± 0.0006 Å
• c: 11.0733 ± 0.0006 Å
• α: 62.387 ± 0.002°
• β: 82.022 ± 0.002°
• γ: 72.919 ± 0.002°
• Cell volume: 990.6 ± 0.1 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: 0.0235
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No