Information card for entry 4107452

Structure parameters

• Common name: Pt-complex
• Chemical name: Pt-complex
• Formula: C19 H28 N2 O8 Pt S
• Calculated formula: C19 H28 N2 O8 Pt S
• SMILES: [Pt]123(O)(O[C@@H]4[C@H]1[C@H]1CC[C@@H]4C1)OS(=O)(=O)C(c1[n]2cccc1)c1[n]3cccc1.CO.O.O
• Title of publication: Direct C(sp3)-O Reductive Elimination of Olefin Oxides from PtIV-Oxetanes Prepared by Aerobic Oxidation of PtII Olefin Derivatives (Olefin = cis-Cyclooctene, Norbornene)
• Authors of publication: Julia R. Khusnutdinova; Laura L. Newman; Peter Y. Zavalij; Yiu-Fai Lam; Andrei N. Vedernikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2174 - 2175
• a: 8.4315 ± 0.0006 Å
• b: 8.5602 ± 0.0006 Å
• c: 15.7898 ± 0.0011 Å
• α: 90°
• β: 99.113 ± 0.001°
• γ: 90°
• Cell volume: 1125.25 ± 0.14 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0154
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No