Information card for entry 1508151

Structure parameters

• Formula: C76 H114 Li4 N9 O9 Si2 U
• Calculated formula: C76 H114 Li4 N9 O9 Si2 U
• SMILES: [U]1234([O]56[Li]7([O]8CCCC8)[N]89[Li]5([O]5CCCC5)[N]5%10[Li]6([O]6CCCC6)[N]6=CC5=CC=C%10C(C)(C)C8=CC=C9C=[N]7c5cc(C)c(C)cc5[N]1=Cc1n2c(cc1)C(C)(C)c1n3c(cc1)C=[N]4c1cc(C)c(C)cc61)(=[O][Li]([O]1CCCC1)[N]([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Uranyl oxo activation and functionalization by metal cation coordination.
• Authors of publication: Arnold, Polly L.; Pécharman, Anne-Frédérique; Hollis, Emmalina; Yahia, Ahmed; Maron, Laurent; Parsons, Simon; Love, Jason B.
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1056 - 1061
• a: 12.2088 ± 0.0003 Å
• b: 16.2176 ± 0.0005 Å
• c: 20.9697 ± 0.0006 Å
• α: 75.391 ± 0.002°
• β: 86.593 ± 0.002°
• γ: 80.083 ± 0.002°
• Cell volume: 3957.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0396
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No