Information card for entry 1507933

Structure parameters

• Formula: C83 H100 I4 N4 P4 Si4 U2
• Calculated formula: C62 H76 I4 N4 P4 Si4 U2
• SMILES: [U]123(I)([N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[I][U]13(I)([I]2)[N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 35.693 ± 0.007 Å
• b: 12.776 ± 0.002 Å
• c: 21.448 ± 0.004 Å
• α: 90°
• β: 121.351 ± 0.003°
• γ: 90°
• Cell volume: 8353 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2588
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No