Information card for entry 7044021

Structure parameters

• Formula: C42 H48 I2 N14 U2
• Calculated formula: C42 H48 I2 N14 U2
• SMILES: [I]1[U]23456(N(CCN(CCN3c3cccc[n]43)CCN5c3cccc[n]63)c3cccc[n]23)[I][U]234561N(CCN(CCN3c1cccc[n]41)CCN5c1cccc[n]61)c1cccc[n]21
• 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: 13.6661 ± 0.0009 Å
• b: 9.5267 ± 0.0006 Å
• c: 16.5783 ± 0.0011 Å
• α: 90°
• β: 94.929 ± 0.003°
• γ: 90°
• Cell volume: 2150.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No