Information card for entry 7709319

Structure parameters

• Chemical name: tBu-POCOP-Pt-SH
• Formula: C22 H40 O2 P2 Pt S
• Calculated formula: C22 H40 O2 P2 Pt S
• SMILES: [Pt]12([P](Oc3cccc(O[P]1(C(C)(C)C)C(C)(C)C)c23)(C(C)(C)C)C(C)(C)C)S
• Title of publication: Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds
• Authors of publication: Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.3204 ± 0.0003 Å
• b: 12.0711 ± 0.0004 Å
• c: 13.4168 ± 0.0004 Å
• α: 100.588 ± 0.003°
• β: 95.692 ± 0.003°
• γ: 104.316 ± 0.003°
• Cell volume: 1268.58 ± 0.08 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 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: 0.0224
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No