Information card for entry 4309734

Structure parameters

• Formula: C36 H46 B I3 N6 U
• Calculated formula: C15 H22 B I3 N6 U
• SMILES: [U]12(I)(I)(I)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
• Title of publication: Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex
• Authors of publication: Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7403 - 7413
• a: 17.943 ± 0.009 Å
• b: 18.658 ± 0.009 Å
• c: 20.265 ± 0.01 Å
• α: 90°
• β: 116.276 ± 0.006°
• γ: 90°
• Cell volume: 6083 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.441
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No