Information card for entry 7044026

Structure parameters

• Formula: C90 H120 K N16 O14 U2
• Calculated formula: C90 H120 K N16 O14 U2
• SMILES: c12c(N([U]345(O2)N(CCN(CCN3c2ncccc2)CCN4c2cccc[n]52)c2ccccn2)c2c(OC)cccc2)cc2c(c1)N([U]134(O2)N(CCN(CCN1c1ccccn1)CCN3c1cccc[n]41)c1ccccn1)c1c(OC)cccc1.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1
• 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: 10.1836 ± 0.0003 Å
• b: 13.3551 ± 0.0004 Å
• c: 17.9008 ± 0.0005 Å
• α: 110.811 ± 0.001°
• β: 91.963 ± 0.001°
• γ: 100.295 ± 0.001°
• Cell volume: 2226.41 ± 0.11 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: 0.0415
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No