Information card for entry 4082472

Structure parameters

• Formula: C38 H34 Cl2 O3 Pt S2
• Calculated formula: C34 H26 Cl2 O2 Pt S2
• SMILES: [Pt]1(Cl)(Cl)[S](=O)(c2c(c3c(cc2)cccc3)c2c([S]1(=O)c1ccc(cc1)C)ccc1ccccc21)c1ccc(cc1)C
• Title of publication: Synthesis, Structure, and Catalytic Studies of Palladium and Platinum Bis-Sulfoxide Complexes
• Authors of publication: Drinkel, Emma E.; Wu, Linglin; Linden, Anthony; Dorta, Reto
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 627
• a: 18.5904 ± 0.0002 Å
• b: 20.7069 ± 0.0002 Å
• c: 8.7469 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3367.12 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No