Information card for entry 7010683

Structure parameters

• Formula: C22 H22 Cl2 N2 O2 Pt S
• Calculated formula: C22 H22 Cl2 N2 O2 Pt S
• SMILES: C1(c2ccccc2)=[N](C(c2ccccc2)N(C)O1)[Pt]([S](C)(c1ccccc1)=O)(Cl)Cl
• Title of publication: Stereoselective [2 + 3] cycloaddition of nitrones to platinum-bound organonitriles. First enantioselective synthesis of Δ4-1,2,4-oxadiazolines†
• Authors of publication: Wagner, Gabriele; Haukka, Matti
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2690
• a: 9.5957 ± 0.0002 Å
• b: 9.739 ± 0.0002 Å
• c: 12.1048 ± 0.0002 Å
• α: 79.93 ± 0.001°
• β: 87.593 ± 0.001°
• γ: 86.115 ± 0.001°
• Cell volume: 1110.71 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No