Information card for entry 1508247

Structure parameters

• Formula: C31 H80 N4 Si8 U2
• Calculated formula: C31 H80 N4 Si8 U2
• SMILES: [U]12345(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[c]67([U]89%10%11(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[cH]36[cH]4%10[cH]5%11[cH]18[cH]279)C
• 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: 22.026 ± 0.0005 Å
• b: 17.4845 ± 0.0005 Å
• c: 28.1385 ± 0.0008 Å
• α: 90°
• β: 112.026 ± 0.002°
• γ: 90°
• Cell volume: 10045.6 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No