Information card for entry 1507931

Structure parameters

• Formula: C69 H86 Cl6 N4 P4 Si4 U2
• Calculated formula: C69 H86 Cl6 N4 P4 Si4 U2
• Title of publication: A delocalized arene-bridged diuranium single-molecule magnet.
• Authors of publication: Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 454 - 460
• a: 12.3462 ± 0.0016 Å
• b: 13.0526 ± 0.0018 Å
• c: 13.5703 ± 0.0018 Å
• α: 106.254 ± 0.002°
• β: 101.926 ± 0.002°
• γ: 105.292 ± 0.002°
• Cell volume: 1930 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0519
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No