Information card for entry 2225943

Structure parameters

• Chemical name: μ-η^2^:η^2^-Peroxido-bis[nitratodioxidobis(pyrrolidin-2-one)uranium(VI)]
• Formula: C16 H28 N6 O16 U2
• Calculated formula: C16 H28 N6 O16 U2
• SMILES: C1(=[O][U]23(=O)(=O)([O]=C4CCCN4)([O]=N(=O)O3)[O]3[O]2[U]23(=O)(=O)([O]=C3CCCN3)([O]=C3CCCN3)ON(=[O]2)=O)CCCN1
• Title of publication: μ-η^2^:η^2^-Peroxido-bis[nitratodioxidobis(pyrrolidin-2-one)uranium(VI)]
• Authors of publication: Takao, Koichiro; Ikeda, Yasuhisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m539 - m540
• a: 8.783 ± 0.002 Å
• b: 8.899 ± 0.003 Å
• c: 9.587 ± 0.003 Å
• α: 68.24 ± 0.03°
• β: 81.3 ± 0.02°
• γ: 68.96 ± 0.02°
• Cell volume: 649.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes