Information card for entry 4065192

Structure parameters

• Formula: C39.5 H53 B2 N12 S U
• Calculated formula: C39.5 H53 B2 N12 S U
• SMILES: [U]1234(Sc5ccccc5)([n]5n(c(cc5C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C.c1(ccccc1)C
• Title of publication: Formation of Trivalent U–C, U–N, and U–S Bonds and Their Reactivity toward Carbon Dioxide and Acetone
• Authors of publication: Matson, Ellen M.; Fanwick, Phillip E.; Bart, Suzanne C.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5753
• a: 10.726 ± 0.0004 Å
• b: 19.676 ± 0.0006 Å
• c: 22.8275 ± 0.0009 Å
• α: 101.936 ± 0.004°
• β: 103.289 ± 0.003°
• γ: 90.589 ± 0.003°
• Cell volume: 4578.8 ± 0.3 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.045
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No