Information card for entry 1507936

Structure parameters

• Formula: C39 H55 Cl3 N2 O2 P2 Si2 U
• Calculated formula: C39 H55 Cl3 N2 O2 P2 Si2 U
• SMILES: [U]1([N]([Si](C)(C)C)=P(c2ccccc2)(c2ccccc2)C=P(c2ccccc2)(c2ccccc2)N1[Si](C)(C)C)(Cl)(Cl)(Cl)[O]1CCCC1.O1CCCC1
• 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: 10.399 ± 0.0009 Å
• b: 12.5771 ± 0.0011 Å
• c: 17.9435 ± 0.0016 Å
• α: 85.865 ± 0.002°
• β: 84.843 ± 0.002°
• γ: 66.167 ± 0.002°
• Cell volume: 2136.4 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No