Information card for entry 4126309

Structure parameters

• Formula: C10 H12 Cl4 N2 O2 U
• Calculated formula: C10 H12 Cl4 N2 O2 U
• Title of publication: Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly.
• Authors of publication: Surbella, Robert G.; Ducati, Lucas Colucci; Pellegrini, Kristi L.; McNamara, Bruce K.; Autschbach, Jochen; Schwantes, Jon Michael; Cahill, Christopher L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 7.732 ± 0.007 Å
• b: 10.312 ± 0.009 Å
• c: 11.343 ± 0.009 Å
• α: 78.07 ± 0.02°
• β: 72.22 ± 0.02°
• γ: 75.6 ± 0.02°
• Cell volume: 825.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No