Information card for entry 1508242

Structure parameters

• Formula: C81 H113 B O4 U2
• Calculated formula: C81 H113 B O4 U2
• Title of publication: Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.
• Authors of publication: Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 668 - 674
• a: 14.2409 ± 0.0004 Å
• b: 15.9949 ± 0.0004 Å
• c: 31.9248 ± 0.0009 Å
• α: 90°
• β: 97.411 ± 0.003°
• γ: 90°
• Cell volume: 7211.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No