Information card for entry 4065194

Structure parameters

• Formula: C38 H49 B2 N12 U
• Calculated formula: C38 H49 B2 N12 U
• SMILES: [U]1234([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)C#Cc1ccccc1
• 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: 11.5978 ± 0.001 Å
• b: 11.6039 ± 0.0005 Å
• c: 15.1989 ± 0.0007 Å
• α: 98.745 ± 0.004°
• β: 94.489 ± 0.005°
• γ: 99.872 ± 0.006°
• Cell volume: 1980.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No