Information card for entry 4079411

Structure parameters

• Formula: C35 H34 Cl N2 O5 P Pd
• Calculated formula: C35 H34 Cl N2 O5 P Pd
• SMILES: [Pd]12(c3c(C(=[N]2OCc2[n]1cccc2)C)cccc3)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.Cl(=O)(=O)(=O)[O-]
• 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: 10.8421 ± 0.0009 Å
• b: 19.6837 ± 0.0017 Å
• c: 15.0237 ± 0.0013 Å
• α: 90°
• β: 92.141 ± 0.002°
• γ: 90°
• Cell volume: 3204 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No