Information card for entry 1562461

Structure parameters

• Common name: ((BMe2,EtTCH)2)U
• Formula: C40 H56 B4 N16 U
• Calculated formula: C40 H56 B4 N16 U
• SMILES: B1(C)([n]2c3n(cc2)CCn2c4[n](cc2)[B](C)([n]2c([U]567834c3[n]4[B](C)([n]9c6n(CCn6c7[n]([B](C)([n]7c5n(CCn3cc4)cc7)C)cc6)cc9)C)n(cc2)CCn2c8[n]1cc2)C)C
• Title of publication: Actinide tetra-N-heterocyclic carbene ‘sandwiches’
• Authors of publication: DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 14.118 ± 0.002 Å
• b: 20.636 ± 0.003 Å
• c: 37.423 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10903 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No