Information card for entry 4085614

Structure parameters

• Common name: cis-anti-(dmso)2Pt(2Tol)2
• Formula: C18 H26 O2 Pt S2
• Calculated formula: C18 H26 O2 Pt S2
• SMILES: [Pt]([S](=O)(C)C)([S](=O)(C)C)(c1c(cccc1)C)c1c(cccc1)C
• Title of publication: Multiple Isomerism (cis/trans; syn/anti) in [(dmso)~2~Pt(aryl)~2~] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation
• Authors of publication: Klein, Axel; Schurr, Thilo; Knödler, Axel; Gudat, Dietrich; Klinkhammer, Karl-Wilhelm; Jain, Vimal K.; Záliš, Stanislav; Kaim, Wolfgang
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 4125 - 4131
• a: 13.3079 ± 0.0015 Å
• b: 15.8153 ± 0.0018 Å
• c: 18.952 ± 0.002 Å
• α: 90°
• β: 91.057 ± 0.009°
• γ: 90°
• Cell volume: 3988.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1122
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No