Information card for entry 1564375

Structure parameters

• Formula: C104 H128 B3 N3 O8 U2
• Calculated formula: C104 H128 B3 N3 O8 U2
• 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: 29.5736 ± 0.0003 Å
• b: 13.29349 ± 0.00009 Å
• c: 24.4177 ± 0.0002 Å
• α: 90°
• β: 106.706 ± 0.001°
• γ: 90°
• Cell volume: 9194.29 ± 0.14 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No