Information card for entry 1507932

Structure parameters

• Formula: C77 H100 Cl4 N4 O2 P4 Si4 U2
• Calculated formula: C70 H92 Cl4 N4 O2 P4 Si4 U2
• SMILES: [U]123(Cl)([Cl][U]45(Cl)([Cl]1)([O]1CCCC1)[N](=P(C5=P(N4[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)([O]1CCCC1)[N](=P(C3=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• 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: 10.8234 ± 0.0009 Å
• b: 11.895 ± 0.001 Å
• c: 16.7711 ± 0.0014 Å
• α: 91.171 ± 0.002°
• β: 94.744 ± 0.002°
• γ: 101.546 ± 0.002°
• Cell volume: 2106.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No