Information card for entry 2224193

Structure parameters

• Chemical name: <i>trans</i>-Dichloridobis[tris(4-methoxyphenyl)phosphine]palladium(II) benzene monosolvate
• Formula: C48 H48 Cl2 O6 P2 Pd
• Calculated formula: C48 H48 Cl2 O6 P2 Pd
• SMILES: c1ccccc1.O(c1ccc([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)[Pd]([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)(Cl)Cl)cc1)C
• Title of publication: <i>trans</i>-Dichloridobis[tris(4-methoxyphenyl)phosphine]palladium(II) benzene monosolvate
• Authors of publication: van Blerk, Charmaine; Holzapfel, Cedric W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1536
• a: 7.9338 ± 0.0002 Å
• b: 12.1886 ± 0.0003 Å
• c: 12.5268 ± 0.0003 Å
• α: 85.981 ± 0.003°
• β: 78.84 ± 0.002°
• γ: 76.155 ± 0.002°
• Cell volume: 1153.57 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes