Information card for entry 1546248

Structure parameters

• Formula: C73 H152 K N2 O22 S Si4 U
• Calculated formula: C73 H152 K N2 O22 S Si4 U
• 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: 14.4445 ± 0.0004 Å
• b: 14.4565 ± 0.0006 Å
• c: 47.0418 ± 0.0018 Å
• α: 82.352 ± 0.003°
• β: 84.245 ± 0.003°
• γ: 78.583 ± 0.003°
• Cell volume: 9515.4 ± 0.6 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No