Information card for entry 7025596

Structure parameters

• Chemical name: Complex 2
• Formula: C48 H76 Li2 N4 O6 U
• Calculated formula: C48 H76 Li2 N4 O6 U
• SMILES: c1(c(cccc1C)C)[NH]1[U]([NH]2c3c(cccc3C)C)(=O)([NH]([Li]1([O]1CCCC1)[O](CC)CC)c1c(cccc1C)C)([NH]([Li]2([O]1CCCC1)[O](CC)CC)c1c(cccc1C)C)=O
• Title of publication: Isolation of a uranyl amide by "ate" complex formation.
• Authors of publication: Seaman, Lani A.; Schnaars, David D.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6635 - 6637
• a: 9.001 ± 0.003 Å
• b: 11.766 ± 0.004 Å
• c: 12.875 ± 0.004 Å
• α: 115.047 ± 0.004°
• β: 92.432 ± 0.004°
• γ: 96.819 ± 0.004°
• Cell volume: 1220 ± 0.7 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: 0.0303
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No