Information card for entry 4115969

Structure parameters

• Formula: C22 H28 Cl4 N4 O4 Pt
• Calculated formula: C22 H28 Cl4 N4 O4 Pt
• SMILES: C1(=[N]([C@H](c2ccc(cc2)OC)N(O1)C)[Pt](Cl)(Cl)([N]1=C(ON([C@@H]1c1ccc(cc1)OC)C)C)(Cl)Cl)C
• Title of publication: Platinum(IV)-Assisted [2 + 3] Cycloaddition of Nitrones to Coordinated Organonitriles. Synthesis of Δ4-1,2,4-Oxadiazolines
• Authors of publication: Gabriele Wagner; Armando J. L. Pombeiro; Vadim Yu. Kukushkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 3106 - 3111
• a: 12.601 ± 0.001 Å
• b: 7.572 ± 0.005 Å
• c: 14.497 ± 0.002 Å
• α: 90°
• β: 102.83 ± 0.03°
• γ: 90°
• Cell volume: 1348.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No