Information card for entry 7105158

Structure parameters

• Common name: U(H3BNMe2BH3)3 crystals grown from pentane
• Formula: C6 H36 B6 N3 U
• Calculated formula: C6 H36 B6 N3 U
• SMILES: [U]123456789([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: Uranium-hydrogen interactions: synthesis and crystal structures of tris(N,N-dimethylaminodiboranato)uranium(III).
• Authors of publication: Daly, Scott R; Girolami, Gregory S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 407 - 408
• a: 15.9392 ± 0.0004 Å
• b: 10.2456 ± 0.0003 Å
• c: 11.4154 ± 0.0003 Å
• α: 90°
• β: 97.192 ± 0.001°
• γ: 90°
• Cell volume: 1849.54 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No