Information card for entry 1546246

Structure parameters

• Formula: C123 H254 K2 N2 O32 Si8 U2
• Calculated formula: C123 H254 K2 N2 O32 Si8 U2
• Title of publication: Metathesis of a UV imido complex: a route to a terminal UV sulfide
• Authors of publication: Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 92.6284 ± 0.0008 Å
• b: 24.32104 ± 0.00017 Å
• c: 13.71515 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30897.8 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No