Information card for entry 1562462

Structure parameters

• Formula: C36 H48 B4 N16 U
• Calculated formula: C36 H48 B4 N16 U
• SMILES: [U]123456(=C7N8C=CN7CN7C=1N(C=C7)[B](N1C=6N(CN6C=4N([B]8(C)C)C=C6)C=C1)(C)C)=c1N4C=CN1CN1C=5N(C=C1)[B](N1C=2N(CN2C=3N(C=C2)[B]4(C)C)C=C1)(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: 18.5705 ± 0.0002 Å
• b: 11.3097 ± 0.0001 Å
• c: 21.6322 ± 0.0003 Å
• α: 90°
• β: 94.305 ± 0.001°
• γ: 90°
• Cell volume: 4530.52 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No