Information card for entry 4110793

Structure parameters

• Formula: C50 H56 Co N8 O5 U
• Calculated formula: C50 H56 Co N8 O5 U
• SMILES: [U]1234(O[Co]56([N]7=Cc8n5c(cc8)C(C)(C)c5n6c(cc5)C=Nc5ccccc5[N]1=Cc1n2c(cc1)C(C)(C)c1n3c(cc1)C=[N]4c1ccccc71)[O]1CCCC1)(=O)[O]1CCCC1.O1CCCC1
• Title of publication: Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations
• Authors of publication: Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9610 - 9611
• a: 13.7156 ± 0.0016 Å
• b: 13.8208 ± 0.0016 Å
• c: 24.136 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4575.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No