Information card for entry 7120449

Structure parameters

• Formula: C86 H154 Eu3 N2 O11 Si6
• Calculated formula: C86 H154 Eu3 N2 O11 Si6
• Title of publication: Synthesis of Rare-Earth-Metal-in-Cryptand Dications, [Ln(2.2.2-cryptand)]2+, from Sm2+, Eu2+, and Yb2+ Silyl Metallocenes (C5H4SiMe3)2Ln(THF)2
• Authors of publication: Huh, Daniel N.; Kotyk, Christopher Matthew; Gembicky, Milan; Rheingold, Arnold L.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.608 ± 0.003 Å
• b: 24.187 ± 0.004 Å
• c: 27.71 ± 0.004 Å
• α: 112.016 ± 0.003°
• β: 94.082 ± 0.003°
• γ: 104.427 ± 0.003°
• Cell volume: 9825 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No