Information card for entry 4128212

Structure parameters

• Formula: C45 H34 F3 O3 P Pt
• Calculated formula: C45 H34 F3 O3 P Pt
• SMILES: [Pt]123([P](Cc4c(C51C(C(=O)[C]3(=[C]25c1ccccc1)c1ccccc1)(C)c1ccccc1)cccc4)(c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F
• Title of publication: Metal-Ligand Cooperative C-H Bond Formation by Cyclopentadienone Platinum Complexes.
• Authors of publication: Higashi, Takuya; Ando, Hideaki; Kusumoto, Shuhei; Nozaki, Kyoko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2247 - 2250
• a: 12.32 ± 0.003 Å
• b: 17.797 ± 0.004 Å
• c: 17.235 ± 0.004 Å
• α: 90°
• β: 91.204 ± 0.003°
• γ: 90°
• Cell volume: 3778.1 ± 1.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No