Information card for entry 1567555

Structure parameters

• Formula: C62 H150 K N12 O6 Si12 U2
• Calculated formula: C62 H150 K N12 O6 Si12 U2
• SMILES: c12[n]3ccc[n]1[U]([n]1c2[n]([U]3(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)ccc1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9
• 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: 29.9688 ± 0.0016 Å
• b: 11.6805 ± 0.0005 Å
• c: 32.306 ± 0.003 Å
• α: 90°
• β: 115.332 ± 0.009°
• γ: 90°
• Cell volume: 10221.3 ± 1.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No