Information card for entry 4089640

Structure parameters

• Formula: C15 H15 Br N2 O Pd
• Calculated formula: C15 H15 Br N2 O Pd
• SMILES: [Pd]12(Br)[N](=C(Cc3c2cccc3)C)OCc2[n]1cccc2
• Title of publication: Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series
• Authors of publication: Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7612
• a: 23.294 ± 0.009 Å
• b: 9.519 ± 0.004 Å
• c: 15.175 ± 0.006 Å
• α: 90°
• β: 119.701 ± 0.006°
• γ: 90°
• Cell volume: 2923 ± 2 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: 0.041
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No