Information card for entry 4128210

Structure parameters

• Formula: C44 H38 Cl O P Pt
• Calculated formula: C44 H39 Cl2 O P Pt
• SMILES: [Pt]12345([P](Cc6c([c]73[c]2([c]1(O)[c]5([c]47c1ccccc1)c1ccccc1)c1ccccc1)cccc6)(c1ccccc1)c1ccccc1)(C)C.[Cl-].Cl
• 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: 11.233 ± 0.0015 Å
• b: 13.617 ± 0.002 Å
• c: 13.798 ± 0.002 Å
• α: 84.553 ± 0.006°
• β: 70.61 ± 0.005°
• γ: 81.993 ± 0.006°
• Cell volume: 1968.7 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No