Information card for entry 1567557

Structure parameters

• Formula: C71 H141 B N10 Si12 U2
• Calculated formula: C71 H141 B N10 Si12 U2
• Title of publication: Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand
• Authors of publication: Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 15.1222 ± 0.0002 Å
• b: 15.2178 ± 0.0002 Å
• c: 23.8147 ± 0.0004 Å
• α: 98.8987 ± 0.0012°
• β: 91.1267 ± 0.0012°
• γ: 92.6498 ± 0.0013°
• Cell volume: 5406.64 ± 0.14 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No