Information card for entry 2008177

Structure parameters

• Chemical name: Dichloro[1-(thiomethyl)-2-(diphenylphosphino)ethane]palladium(II)
• Formula: C15 H17 Cl2 P Pd S
• Calculated formula: C15 H17 Cl2 P Pd S
• SMILES: [Pd]1(Cl)(Cl)[S](CC[P]1(c1ccccc1)c1ccccc1)C
• Title of publication: A dichloropalladium(II) complex with a mixed-donor bidentate ligand: dichloro[2-(diphenylphosphino)-1-(methylthio)ethane-<i>P</i>,<i>S</i>]palladium(II)
• Authors of publication: Adnan S. Abu-Surrah; Kristian Lappalainen; Martti Klinga; Markku Leskelä; Hamdallah A. Hodali; Bernhard Rieger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 188 - 190
• a: 11.36 ± 0.003 Å
• b: 12.237 ± 0.002 Å
• c: 11.717 ± 0.002 Å
• α: 90°
• β: 93.63 ± 0.03°
• γ: 90°
• Cell volume: 1625.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.05
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No