Information card for entry 4079410

Structure parameters

• Formula: C17 H19 Cl N2 O4 Pd
• Calculated formula: C17 H19 Cl N2 O4 Pd
• SMILES: [Pd]12(c3c(C(=[N]1OCc1[n]2cccc1)C)cc(c(c3OC)OC)OC)Cl
• 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: 10.0709 ± 0.0007 Å
• b: 15.5194 ± 0.0011 Å
• c: 22.5797 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3529.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No