Information card for entry 4085953

Structure parameters

• Formula: C17 H16 N2 O2 Pd
• Calculated formula: C17 H16 N2 O2 Pd
• SMILES: [Pd]12([n]3c(c4[n]1cccc4)cccc3)c1c(cccc1)CO2.O
• 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: 25.7969 ± 0.0016 Å
• b: 7.2646 ± 0.0004 Å
• c: 16.8495 ± 0.0011 Å
• α: 90°
• β: 109.801 ± 0.003°
• γ: 90°
• Cell volume: 2971 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No