Information card for entry 4127473

Structure parameters

• Formula: C73 H162 K2 O26 Si6 U2
• Calculated formula: C73 H162 K2 O26 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: 14.26268 ± 0.00013 Å
• b: 17.70163 ± 0.00018 Å
• c: 21.97679 ± 0.00018 Å
• α: 90°
• β: 91.5652 ± 0.0008°
• γ: 90°
• Cell volume: 5546.47 ± 0.09 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No