Information card for entry 4316437

Structure parameters

• Formula: C34 H54 B2 N12 O2 U
• Calculated formula: C34 H54 B2 N12 O2 U
• SMILES: [U]1234(=O)([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.O(CC)CC
• Title of publication: Crystallographic Evidence of a Base-Free Uranium(IV) Terminal Oxo Species
• Authors of publication: Steven J. Kraft; Justin Walensky; Phillip E. Fanwick; Michael B. Hall; Suzanne C. Bart
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7620 - 7622
• a: 10.4963 ± 0.0005 Å
• b: 11.0303 ± 0.0004 Å
• c: 17.8461 ± 0.0006 Å
• α: 99.854 ± 0.002°
• β: 97.554 ± 0.004°
• γ: 101.455 ± 0.004°
• Cell volume: 1965.64 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No