Information card for entry 7122183

Structure parameters

• Formula: C44 H61 B I2 N3 O7 U
• Calculated formula: C44 H61 B I2 N3 O7 U
• Title of publication: Synthesis of uranium-in-cryptand complexes.
• Authors of publication: Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10272 - 10275
• a: 20.142 ± 0.003 Å
• b: 9.6317 ± 0.0016 Å
• c: 26.979 ± 0.005 Å
• α: 90°
• β: 107.307 ± 0.002°
• γ: 90°
• Cell volume: 4997 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No