Information card for entry 1552010

Structure parameters

• Formula: C39 H63 Cl U
• Calculated formula: C39 H63 Cl U
• SMILES: [U]123456789%10%11%12(Cl)([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: 20.1 ± 0.002 Å
• b: 21.4218 ± 0.0008 Å
• c: 20.1165 ± 0.0015 Å
• α: 90°
• β: 118.596 ± 0.011°
• γ: 90°
• Cell volume: 7605.1 ± 1.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1207
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No