Information card for entry 4340830

Structure parameters

• Chemical name: Bis(1,2-bis(4-methoxyphenyl)ethen-1,2-dithiolato) palladium(II)
• Formula: C32 H28 O4 Pd S4
• Calculated formula: C32 H28 O4 Pd S4
• SMILES: [Pd]12(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)SC(=C(S2)c1ccc(OC)cc1)c1ccc(OC)cc1
• 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: 9.792 ± 0.003 Å
• b: 12.201 ± 0.003 Å
• c: 14.106 ± 0.004 Å
• α: 104.443 ± 0.004°
• β: 104.466 ± 0.004°
• γ: 105.89 ± 0.004°
• Cell volume: 1475.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No