Information card for entry 7129571

Structure parameters

• Formula: C102 H124 N4 O50 S5 U4
• Calculated formula: C102 H124 N4 O50 S5 U4
• Title of publication: Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes
• Authors of publication: Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.8984 ± 0.0001 Å
• b: 21.5255 ± 0.0003 Å
• c: 42.4726 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11792.3 ± 0.2 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No