Information card for entry 4119398

Structure parameters

• Formula: C40 H78 Dy Li O6 Si4
• Calculated formula: C40 H78 Dy Li O6 Si4
• SMILES: [Dy]123456789%10%11%12%13%14([C]%15([Si](C)(C)C)=[CH]1[CH]2=[C]5([Si](C)(C)C)[CH]6=[CH]7[CH]3=[CH]4%15)[CH]1=[C]%14([Si](C)(C)C)[CH]%10=[CH]9[CH]8=[CH]%11[C]%12([Si](C)(C)C)=[CH]%131.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet
• Authors of publication: Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3502 - 3510
• a: 11.5077 ± 0.0007 Å
• b: 12.3057 ± 0.0007 Å
• c: 18.5852 ± 0.0011 Å
• α: 99.361 ± 0.003°
• β: 102.268 ± 0.003°
• γ: 99.657 ± 0.003°
• Cell volume: 2481 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No