Information card for entry 7044022

Structure parameters

• Formula: C31 H44 I N7 O2.5 U
• Calculated formula: C31 H44 I N7 O2.5 U
• SMILES: [U]123456(I)([O]7CCCC7)[n]7c(N3CC[N]5(CCN6c3cccc[n]43)CCN2c2cccc[n]12)cccc7.O1CCCC1.O1CCCC1
• Title of publication: Benzoquinonoid-bridged dinuclear actinide complexes
• Authors of publication: Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.6307 ± 0.0006 Å
• b: 14.3188 ± 0.0006 Å
• c: 18.4904 ± 0.0008 Å
• α: 90.085 ± 0.002°
• β: 104.405 ± 0.002°
• γ: 90.472 ± 0.002°
• Cell volume: 3238.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No