Information card for entry 1508148

Structure parameters

• Formula: C70 H97 Li N8 O9 U
• Calculated formula: C70 H97 Li N8 O9 U
• SMILES: Cc1cc2c(cc1C)[N]1=Cc3ccc4C(c5ccc(C=Nc6c(cc(C)c(C)c6)[N]6=Cc7ccc8C(c9ccc%10C=[N]2[U]6(n9%10)(n78)([O]2CCCC2)([O][Li]1(n34)[O]1CCCC1)=O)(C)C)[nH]5)(C)C.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1.C1CCCO1
• 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: 12.9187 ± 0.0006 Å
• b: 16.9057 ± 0.0007 Å
• c: 17.0274 ± 0.0007 Å
• α: 107.186 ± 0.003°
• β: 96.271 ± 0.003°
• γ: 106.235 ± 0.003°
• Cell volume: 3335.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0628
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No