Information card for entry 4081237

Structure parameters

• Common name: MLS_9_052_8
• Chemical name: MLS_9_052_8
• Formula: C20 H32 N2 O2 Pt
• Calculated formula: C20 H32 N2 O2 Pt
• SMILES: C[Pt]12(C)(C)[n]3ccccc3C3(C(=CC(C(C)(C)C)=[N]13)C(C)(C)C)OO2
• Title of publication: Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen
• Authors of publication: Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4752
• a: 9.7826 ± 0.0019 Å
• b: 11.383 ± 0.002 Å
• c: 18.509 ± 0.004 Å
• α: 91.239 ± 0.009°
• β: 91.586 ± 0.008°
• γ: 90.924 ± 0.01°
• Cell volume: 2059.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No