Information card for entry 4063816

Structure parameters

• Formula: C35 H60 Cl2 N6 O5 Pt
• Calculated formula: C35 H60 Cl2 N6 O5 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)N(C)C)[N]1=C(ON2[C@]1(O[C@H]1[C@@]3(C)C(C)(C)[C@@H]([C@@H]21)CC3)CC)N(C)C.O=C(C)C
• 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: 10.9605 ± 0.0002 Å
• b: 11.9222 ± 0.0002 Å
• c: 29.9856 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3918.32 ± 0.12 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: 0.0375
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No