Information card for entry 7044023

Structure parameters

• Formula: C62 H64 N16 O4 U2
• Calculated formula: C62 H64 N16 O4 U2
• SMILES: c12cc3N(c4c(OC)cccc4)[U]45678(Oc3cc2N([U]239%10%11(O1)N(c1cccc[n]21)CCN(CCN3c1cccc[n]91)CCN%10c1cccc[n]%111)c1c(OC)cccc1)N(CCN(CCN5c1cccc[n]61)CCN7c1cccc[n]81)c1cccc[n]41
• 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: 9.5899 ± 0.0006 Å
• b: 20.9064 ± 0.0013 Å
• c: 28.9404 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5802.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No