Information card for entry 1567556

Structure parameters

• Formula: C96 H226 K2 N14 O16 Si12 U2
• Calculated formula: C96 H226 K2 N14 O16 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.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.O(CC)CC.O(CC)CC.O(CC)CC.O(CC)CC
• 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: 13.7816 ± 0.00013 Å
• b: 16.73893 ± 0.00018 Å
• c: 17.0063 ± 0.00017 Å
• α: 63.8536 ± 0.0011°
• β: 84.3138 ± 0.0008°
• γ: 74.6504 ± 0.0009°
• Cell volume: 3395.39 ± 0.07 ų
• Cell temperature: 139.9 ± 0.9 K
• Ambient diffraction temperature: 139.9 ± 0.9 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0536
• 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: No
• Has Fobs: No