Information card for entry 4324433

Structure parameters

• Formula: C40 H30 Cl2 F8 P2 Pt S2
• Calculated formula: C40 H30 Cl2 F8 P2 Pt S2
• SMILES: [Pt](Cl)(Cl)([P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1)[P](CCSc1c(F)c(F)cc(F)c1F)(c1ccccc1)c1ccccc1
• Title of publication: Chelating Effect as a Driving Force for the Selective Formation of Heteroligated Pt(II) Complexes with Bidentate Phosphino-Chalcoether Ligands
• Authors of publication: Mari S. Rosen; Alexander M. Spokoyny; Charles W. Machan; Charlotte Stern; Amy Sarjeant; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1411 - 1419
• a: 17.7725 ± 0.001 Å
• b: 17.3394 ± 0.0009 Å
• c: 25.2406 ± 0.0014 Å
• α: 90°
• β: 100.322 ± 0.004°
• γ: 90°
• Cell volume: 7652.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1302
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No