Information card for entry 7125709

Structure parameters

• Formula: C48 H75 N5 O3 U
• Calculated formula: C48 H75 N5 O3 U
• Title of publication: CO₂ conversion to phenyl isocyanates by uranium(vi) bis(imido) complexes.
• Authors of publication: Maria, Leonor; Bandeira, Nuno A. G.; Marçalo, Joaquim; Santos, Isabel C.; Gibson, John K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 431 - 434
• a: 15.5464 ± 0.0006 Å
• b: 13.2994 ± 0.0005 Å
• c: 23.2853 ± 0.0008 Å
• α: 90°
• β: 103.112 ± 0.001°
• γ: 90°
• Cell volume: 4688.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0532
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No