Information card for entry 4079409

Structure parameters

• Formula: C14 H13 Br N2 O Pd
• Calculated formula: C14 H13 Br N2 O Pd
• SMILES: [Pd]12(c3c(C(=[N]1OCc1[n]2cccc1)C)cccc3)Br
• 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: 20.3668 ± 0.0019 Å
• b: 7.8505 ± 0.0007 Å
• c: 18.4305 ± 0.0017 Å
• α: 90°
• β: 113.018 ± 0.002°
• γ: 90°
• Cell volume: 2712.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No