Information card for entry 4079646

Structure parameters

• Formula: C20 H27 N2 O9.5 Pt
• Calculated formula: C20 H18 N2 O9.5 Pt
• SMILES: [Pt]1([n]2ccccc2c2[n]1cccc2)(OC(=O)c1ccccc1C(=O)[O-])([OH2])(C)C.O.O.O.O.O
• Title of publication: Oxidative Addition of Phthaloyl Peroxide to Dimethylplatinum(II) Complexes
• Authors of publication: Pellarin, Kyle R.; McCready, Matthew S.; Sutherland, Thomas I.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8291
• a: 9.0456 ± 0.0012 Å
• b: 16.846 ± 0.002 Å
• c: 16.919 ± 0.002 Å
• α: 95.284 ± 0.003°
• β: 103.731 ± 0.003°
• γ: 103.638 ± 0.003°
• Cell volume: 2403.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No