Information card for entry 4128211

Structure parameters

• Common name: PtMe2_Ptethered
• Formula: C44 H37 O P Pt
• Calculated formula: C44 H37 O P Pt
• SMILES: [Pt]12345(C)(C)[C]6(=O)[C]1(=[C]2([C]3(=[C]46c1ccccc1)c1ccccc1)c1ccccc1C[P]5(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 9.95 ± 0.003 Å
• b: 19.942 ± 0.006 Å
• c: 17.567 ± 0.006 Å
• α: 90°
• β: 104.988 ± 0.004°
• γ: 90°
• Cell volume: 3367.1 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0946
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No