Information card for entry 4079647

Structure parameters

• Formula: C21 H20 N2 O6 Pt
• Calculated formula: C21 H20 N2 O6 Pt
• SMILES: [Pt]12([n]3ccccc3C(O2)(O)c2[n]1cccc2)(OC(=O)c1ccccc1C(=O)O)(C)C
• 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: 34.149 ± 0.003 Å
• b: 7.862 ± 0.0006 Å
• c: 16.3098 ± 0.0013 Å
• α: 90°
• β: 115.614 ± 0.002°
• γ: 90°
• Cell volume: 3948.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No