Information card for entry 1564377

Structure parameters

• Formula: C70 H125 B N O14.5 Si3 U
• Calculated formula: C70 H125 B N O14.5 Si3 U
• Title of publication: Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides
• Authors of publication: Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.6571 ± 0.0005 Å
• b: 14.5356 ± 0.0005 Å
• c: 22.711 ± 0.0008 Å
• α: 78.867 ± 0.003°
• β: 72.917 ± 0.003°
• γ: 73.341 ± 0.003°
• Cell volume: 4099.4 ± 0.3 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No