Information card for entry 1567796

Structure parameters

• Formula: C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98
• Calculated formula: C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795
• Title of publication: Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria
• Authors of publication: Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 7349 - 7360
• a: 14.2283 ± 0.0005 Å
• b: 12.4939 ± 0.0004 Å
• c: 8.2937 ± 0.0002 Å
• α: 90°
• β: 98.4225 ± 0.0012°
• γ: 90°
• Cell volume: 1458.44 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No