Information card for entry 4126314

Structure parameters

• Formula: C10 H12 Cl4 N2 O2 Pu
• Calculated formula: C10 H12 Cl4 N2 O2 Pu
• 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: 7.7417 ± 0.0004 Å
• b: 10.3137 ± 0.0005 Å
• c: 11.2637 ± 0.0006 Å
• α: 77.936 ± 0.001°
• β: 71.773 ± 0.001°
• γ: 75.432 ± 0.001°
• Cell volume: 818.42 ± 0.07 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: 0.0321
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No