Information card for entry 2234432

Structure parameters

• Chemical name: <i>trans</i>-Dichloridobis(triphenylphosphane-κ<i>P</i>)palladium(II) benzene hemisolvate
• Formula: C39 H33 Cl2 P2 Pd
• Calculated formula: C39 H33 Cl2 P2 Pd
• SMILES: c1ccccc1.[P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: <i>trans</i>-Dichloridobis(triphenylphosphane-κ<i>P</i>)palladium(II) benzene hemisolvate
• Authors of publication: Meyer-Wegner, Frank; Lerner, Hans-Wolfram; Sinke, Tanja; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m507
• a: 11.453 ± 0.0007 Å
• b: 18.4493 ± 0.0008 Å
• c: 16.4696 ± 0.001 Å
• α: 90°
• β: 104.979 ± 0.005°
• γ: 90°
• Cell volume: 3361.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes