Information card for entry 1552009

Structure parameters

• Formula: C39 H63 U
• Calculated formula: C39 H63 U
• SMILES: [U]123456789%10%11%12([c]%13([cH]1[c]2([cH]3[cH]4%13)C(C)(C)C)C(C)(C)C)([c]1([cH]5[c]6([cH]7[cH]81)C(C)(C)C)C(C)(C)C)[c]1([cH]9[c]%10([cH]%11[cH]%121)C(C)(C)C)C(C)(C)C
• Title of publication: Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy
• Authors of publication: Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills
• Journal of publication: Nature Chemistry
• Year of publication: 2017
• Journal volume: 9
• Pages of publication: 578 - 583
• a: 10.7925 ± 0.0006 Å
• b: 19.3497 ± 0.001 Å
• c: 17.8721 ± 0.0012 Å
• α: 90°
• β: 104.314 ± 0.006°
• γ: 90°
• Cell volume: 3616.4 ± 0.4 ų
• Cell temperature: 150.02 ± 0.14 K
• Ambient diffraction temperature: 150.02 ± 0.14 K
• Number of distinct elements: 3
• 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: 0.1249
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No