Information card for entry 1551901

Structure parameters

• Common name: DCP2
• Chemical name: Tris(μ~2~-acetato)-bis(benzo[<i>h<ι>]quinolato)-(μ~2~-chloro)- tripalladium(II)
• Formula: C32 H25 Cl N2 O6 Pd3
• Calculated formula: C32 H25 Cl N2 O6 Pd3
• SMILES: [Pd]12([O]=C(C)O[Pd]3([Cl][Pd]4([n]5cccc6ccc7cccc4c7c56)[O]=C(O3)C)[O]=C(O2)C)[n]2cccc3ccc4cccc1c4c23
• Title of publication: Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation
• Authors of publication: David C. Powers; Tobias Ritter
• Journal of publication: Nature Chemistry
• Year of publication: 2009
• Journal volume: 1
• Pages of publication: 302 - 309
• a: 10.0632 ± 0.0002 Å
• b: 11.2475 ± 0.0002 Å
• c: 13.923 ± 0.0002 Å
• α: 96.989 ± 0.001°
• β: 95.423 ± 0.001°
• γ: 108.992 ± 0.001°
• Cell volume: 1463.85 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No