Information card for entry 4079256

Structure parameters

• Formula: C12 H18 N2 O9 Pt
• Calculated formula: C12 H18 N2 O9 Pt
• SMILES: [Pt]1(O)(O)(C)(C)[n]2ccccc2c2cccc[n]12.O.O.O.O.O.O.O
• Title of publication: Oxidation of Dimethylplatinum(II) Complexes with a Dioxirane: The Viability of Oxoplatinum(IV) Intermediates
• Authors of publication: Pellarin, Kyle R.; McCready, Matthew S.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6388
• a: 7.271 ± 0.003 Å
• b: 17.379 ± 0.008 Å
• c: 30.265 ± 0.013 Å
• α: 90°
• β: 95.533 ± 0.008°
• γ: 90°
• Cell volume: 3807 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No