Information card for entry 2208948

Structure parameters

• Chemical name: diiodobis(triphenylphosphine)palladium(II) dichloromethane disolvate
• Formula: C38 H34 Cl4 I2 P2 Pd
• Calculated formula: C38 H34 Cl4 I2 P2 Pd
• SMILES: C(Cl)Cl.I[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(I)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: The twinned crystal structure of diiodobis(triphenylphosphine)palladium(II) dichloromethane disolvate at 173K
• Authors of publication: Theissmann, Thomas; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1056 - m1058
• a: 11.8422 ± 0.0006 Å
• b: 20.3802 ± 0.0007 Å
• c: 8.242 ± 0.0004 Å
• α: 90°
• β: 95.364 ± 0.004°
• γ: 90°
• Cell volume: 1980.47 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes