Information card for entry 1507935

Structure parameters

• Formula: C56 H71 I2 N2 O P2 Si2 U
• Calculated formula: C35 H47 I2 N2 O P2 Si2 U
• SMILES: [U]1(I)(I)([N]([Si](C)(C)C)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)[O]1CCCC1
• 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: 9.836 ± 0.003 Å
• b: 12.37 ± 0.003 Å
• c: 22.185 ± 0.006 Å
• α: 74.697 ± 0.004°
• β: 78.713 ± 0.004°
• γ: 81.039 ± 0.004°
• Cell volume: 2537.7 ± 1.2 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: 0.0863
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No