Information card for entry 4319543

Structure parameters

• Formula: C42 H36 O2 P2 Pd S2
• Calculated formula: C42 H36 O2 P2 Pd S2
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC(=C(C(=O)C)C(=O)C)S1
• Title of publication: Mononuclear (Pd, Pt), Heterodinuclear (PdAg, PtAg), and Tetranuclear (Pd2Ag2, Pt2Ag2) 1,1-Ethylenedithiolato Complexes
• Authors of publication: José Vicente; María Teresa Chicote; Sonia Huertas; Delia Bautista; Peter G. Jones; Axel K. Fischer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2051 - 2057
• a: 19.259 ± 0.0005 Å
• b: 16.9889 ± 0.0005 Å
• c: 22.5659 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7383.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No