Information card for entry 4063813

Structure parameters

• Formula: C38 H48 Cl2 N4 O4 Pt
• Calculated formula: C38 H48 Cl2 N4 O4 Pt
• SMILES: [Pt](Cl)(Cl)([N]1=C(ON2[C@]1(O[C@H]1[C@@]3(C)C(C)(C)[C@@H]([C@@H]21)CC3)C)c1ccccc1)[N]1=C(ON2[C@]1(O[C@H]1[C@@]3(C)C(C)(C)[C@@H]([C@@H]21)CC3)C)c1ccccc1
• Title of publication: Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands
• Authors of publication: Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 595
• a: 8.2749 ± 0.0001 Å
• b: 14.7099 ± 0.0001 Å
• c: 31.2056 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3798.44 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No