Information card for entry 4085954

Structure parameters

• Formula: C24 H20 Br I N2 O Pd
• Calculated formula: C24 H20 Br I N2 O Pd
• SMILES: [Pd]1([n]2c(c3[n]1cccc3)cccc2)(Br)c1c(cccc1)COCc1ccc(I)cc1
• Title of publication: Synthesis of Arylpalladium(II) Complexes Derived from Benzyl Alcohol, Reactivity toward Alkyl Halides, and Synthesis of Dinuclear Arylpalladium(II) Complexes
• Authors of publication: Fernández-Rodríguez, María-José; Martínez-Viviente, Eloísa; Vicente, José; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3282
• a: 9.3227 ± 0.0003 Å
• b: 13.4757 ± 0.0004 Å
• c: 17.8619 ± 0.0005 Å
• α: 90°
• β: 92.273 ± 0.003°
• γ: 90°
• Cell volume: 2242.22 ± 0.12 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: 0.0304
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No