Information card for entry 7111865

Structure parameters

• Formula: C40 H78 Er Li O6 Si4
• Calculated formula: C40 H78 Er Li O6 Si4
• SMILES: [Er]123456789%10%11%12%13%14([CH]%15=[C]%11([Si](C)(C)C)[CH]%12=[CH]%13[CH]4=[CH]3[C]2([Si](C)(C)C)=[CH]1%15)[CH]1=[C]%14([CH]%10=[CH]9[CH]8=[CH]7[C]6([Si](C)(C)C)=[CH]51)[Si](C)(C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: A sandwich complex with axial symmetry for harnessing the anisotropy in a prolate erbium(III) ion
• Authors of publication: Jennifer J. Le Roy; Ilia Korobkov; Muralee Murugesu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1602
• a: 11.4921 ± 0.0012 Å
• b: 12.3172 ± 0.0012 Å
• c: 18.5804 ± 0.0019 Å
• α: 99.322 ± 0.002°
• β: 102.182 ± 0.002°
• γ: 100 ± 0.002°
• Cell volume: 2477.3 ± 0.4 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: 0.0195
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No