Information card for entry 4079414

Structure parameters

• Formula: C23 H22 Cl N3 O Pd
• Calculated formula: C23 H22 Cl N3 O Pd
• SMILES: [Pd]12(C(c3c(cccc3)C(=[N]1OCc1[n]2cccc1)C)=Nc1c(cccc1C)C)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: 8.3594 ± 0.0008 Å
• b: 17.8281 ± 0.0017 Å
• c: 14.2296 ± 0.0013 Å
• α: 90°
• β: 104.731 ± 0.002°
• γ: 90°
• Cell volume: 2051 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No