Information card for entry 4127475

Structure parameters

• Formula: C76 H170 K2 N2 O25 Si6 U2
• Calculated formula: C76 H170 K2 N2 O25 Si6 U2
• Title of publication: CO₂ and CO/H₂ Conversion to Methoxide by a Uranium(IV) Hydride.
• Authors of publication: Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 24
• Pages of publication: 9570 - 9577
• a: 23.8521 ± 0.0007 Å
• b: 13.9941 ± 0.0004 Å
• c: 33.379 ± 0.0008 Å
• α: 90°
• β: 94.406 ± 0.002°
• γ: 90°
• Cell volume: 11108.6 ± 0.5 ų
• Cell temperature: 139.99 ± 0.1 K
• Ambient diffraction temperature: 139.99 ± 0.1 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: 0.1268
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No