Information card for entry 2009005

Structure parameters

• Chemical name: Dibromo[1,3-propanediylbis(diphenylphosphine)-P,P']palladium(II)
• Formula: C27 H26 Br2 P2 Pd
• Calculated formula: C27 H26 Br2 P2 Pd
• SMILES: [Pd]1(Br)(Br)[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dibromo[propane-1,3-diylbis(diphenylphosphine)-<i>P</i>,<i>P</i>']palladium(II)
• Authors of publication: José M. Vila; Juan M. Ortigueira; Margarita López; Jesus J. Fernández; Alberto Fernández
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1646 - 1647
• a: 8.6829 ± 0.0013 Å
• b: 10.751 ± 0.0016 Å
• c: 14.42 ± 0.002 Å
• α: 88.617 ± 0.013°
• β: 80.841 ± 0.011°
• γ: 73.689 ± 0.011°
• Cell volume: 1275.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.137
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No