Information card for entry 4315623

Structure parameters

• Formula: C12 H54 B6 N3 P2 U
• Calculated formula: C12 H54 B6 N3 P2 U
• SMILES: [U]123456789([P](C)(C)C)([P](C)(C)C)([H][BH]([N](C)(C)[BH]([H]4)[H]5)[H]1)([H][BH]([N](C)(C)[BH]([H]9)[H]7)[H]6)[H][BH]([N](C)(C)[BH]([H]2)[H]3)[H]8
• Title of publication: Synthesis, Characterization, and Structures of Uranium(III) N,N-Dimethylaminodiboranates
• Authors of publication: Scott R. Daly; Gregory S. Girolami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5157 - 5166
• a: 16.7492 ± 0.0012 Å
• b: 10.4449 ± 0.0007 Å
• c: 33.515 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5863.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No