Information card for entry 4107178

Structure parameters

• Formula: C39.5 H70 Dy Li O3 Si4
• Calculated formula: C39.5 H70 Dy Li O3 Si4
• SMILES: [Dy]123456789%10%11%12%13%14([CH]%15=[CH]%11[C]%12([Si](C)(C)C)=[CH]1[CH]2=[C]%13([Si](C)(C)C)[CH]%14=[CH]3%15)[CH]1=[C]%10([Si](C)(C)C)[CH]9=[CH]8[CH]7=[CH]6[C]5([Si](C)(C)C)=[CH]41.[Li]1([O](C)CC[O]1C)[O]1CCCC1.c1(ccccc1)C
• Title of publication: An Organometallic Sandwich Lanthanide Single-Ion Magnet with an Unusual Multiple Relaxation Mechanism
• Authors of publication: Matthew Jeletic; Po-Heng Lin; Jennifer J. Le Roy; Ilia Korobkov; Serge I. Gorelsky; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19286 - 19289
• a: 10.5615 ± 0.0016 Å
• b: 19.679 ± 0.003 Å
• c: 22.733 ± 0.003 Å
• α: 90°
• β: 99.964 ± 0.008°
• γ: 90°
• Cell volume: 4653.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No