Information card for entry 2008882

Structure parameters

• Common name: iodo(6-chloropyridin-2-yl)bis(triphenylphosphine)palladium(II)
• Formula: C41 H33 Cl I N P2 Pd
• Calculated formula: C41 H33 Cl I N P2 Pd
• SMILES: [Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1nc(Cl)ccc1
• Title of publication: (6-Chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II)
• Authors of publication: Cave, Gareth W. V.; Errington, William; Rourke, Jonathan P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1461 - 1463
• a: 12.1621 ± 0.0009 Å
• b: 14.7472 ± 0.0009 Å
• c: 20.8082 ± 0.0009 Å
• α: 90°
• β: 103.451 ± 0.002°
• γ: 90°
• Cell volume: 3629.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.098
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes