Information card for entry 2006247

Structure parameters

• Common name: bis(triphenylphosphine)palladium bromide
• Chemical name: trans-dibromobis(triphenylphosphine)palladium(II)
• Formula: C40 H38 Br2 O P2 Pd
• Calculated formula: C40 H38 Br2 O P2 Pd
• SMILES: [Pd](Br)(Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: <i>trans</i>-Dibromobis(triphenylphosphine)palladium(II) Tetrahydrofuran Solvate and <i>trans</i>-Dichlorobis(triphenylphosphine)palladium(II) Bis(chloroform) Solvate
• Authors of publication: Stark, Joseph L.; Whitmire, Kenton H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: IUC9700007
• a: 9.356 ± 0.002 Å
• b: 9.609 ± 0.002 Å
• c: 20.529 ± 0.004 Å
• α: 92.16 ± 0.03°
• β: 92.81 ± 0.03°
• γ: 98.73 ± 0.03°
• Cell volume: 1820.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1418
• Weighted residual factors for significantly intense reflections: 0.1316
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No