Information card for entry 7117745

Structure parameters

• Chemical name: Tp*2UF
• Formula: C34 H45 B2 F N12 O U
• Calculated formula: C34 H45 B2 F N12 O U
• SMILES: [U]1234(F)([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.O1CCCC1
• Title of publication: Synthesis of low-valent uranium fluorides by C-F bond activation
• Authors of publication: Christopher L. Clark; Jill J. Lockhart; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14084
• a: 10.4532 ± 0.0003 Å
• b: 11.0258 ± 0.0003 Å
• c: 18.1147 ± 0.0007 Å
• α: 102.153 ± 0.001°
• β: 98.067 ± 0.001°
• γ: 96.74 ± 0.001°
• Cell volume: 1997.41 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No