Information card for entry 1507934

Structure parameters

• Formula: C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2
• Calculated formula: C69 H86 Cl1.224 I0.78 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: 17.3132 ± 0.0009 Å
• b: 27.8758 ± 0.0015 Å
• c: 36.903 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17810 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No