Information card for entry 2018221

Structure parameters

• Common name: Pd_iii
• Chemical name: <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)
• Formula: C36 H30 Cl2 P2 Pd
• Calculated formula: C36 H30 Cl2 P2 Pd
• SMILES: [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Weak C—H···Cl—Pd interactions toward conformational polymorphism in <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II)
• Authors of publication: Corrêa, Rodrigo S.; Graminha, Angélica E.; Ellena, Javier; Batista, Alzir A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m304 - m306
• a: 9.983 ± 0.0003 Å
• b: 11.3023 ± 0.0003 Å
• c: 15.6037 ± 0.0005 Å
• α: 89.947 ± 0.002°
• β: 89.539 ± 0.001°
• γ: 63.926 ± 0.001°
• Cell volume: 1581.34 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes