Information card for entry 4340832

Structure parameters

• Chemical name: (2,3-cis-but-2-enedithiolato-κ^2^S,S')bis(triphenyl phosphine)palladium(II)
• Formula: C40 H36 P2 Pd S2
• Calculated formula: C40 H36 P2 Pd S2
• SMILES: [Pd]1(SC(=C(S1)C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.
• Authors of publication: Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9192 - 9205
• a: 9.0024 ± 0.0004 Å
• b: 10.959 ± 0.0004 Å
• c: 17.4224 ± 0.0007 Å
• α: 90°
• β: 99.862 ± 0.001°
• γ: 90°
• Cell volume: 1693.45 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No