Information card for entry 4082477

Structure parameters

• Formula: C35 H42 Cl2 O2 Pt S2
• Calculated formula: C35 H42 Cl2 O2 Pt S2
• SMILES: [Pt]1([S](=O)(c2c(c3c(cc2)cccc3)c2c([S]1(=O)C1CCCCC1)ccc1ccccc21)C1CCCCC1)(C)C.ClCCl
• 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: 16.63117 ± 0.00016 Å
• b: 13.51188 ± 0.00011 Å
• c: 14.73229 ± 0.00012 Å
• α: 90°
• β: 100.408 ± 0.0009°
• γ: 90°
• Cell volume: 3256.15 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0382
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No