Information card for entry 4340831

Structure parameters

• Chemical name: Bis(trimethyphosphine)(1,2-bis(4-methoxyphenyl)ethene- 1,2-dithiolato)palladium(II)
• Formula: C22 H32 O2 P2 Pd S2
• Calculated formula: C22 H32 O2 P2 Pd S2
• SMILES: [Pd]1(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)([P](C)(C)C)[P](C)(C)C
• 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: 8.9483 ± 0.0006 Å
• b: 20.1445 ± 0.0014 Å
• c: 14.4855 ± 0.001 Å
• α: 90°
• β: 106.924 ± 0.001°
• γ: 90°
• Cell volume: 2498.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No