Information card for entry 4063815

Structure parameters

• Formula: C41 H53 Cl5 N4 O4 Pt
• Calculated formula: C41 H53 Cl5 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)CC)c1ccccc1)[N]1=C(ON2[C@]1(O[C@H]1[C@@]3(C)C(C)(C)[C@@H]([C@@H]21)CC3)CC)c1ccccc1.ClC(Cl)Cl
• 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: 11.8983 ± 0.0002 Å
• b: 11.6015 ± 0.0001 Å
• c: 15.6181 ± 0.0002 Å
• α: 90°
• β: 96.614 ± 0.006°
• γ: 90°
• Cell volume: 2141.55 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No