Information card for entry 7120447

Structure parameters

• Formula: C87 H138 N2 O6 Si6 Yb3
• Calculated formula: C87 H138 N2 O6 Si6 Yb3
• 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: 15.6054 ± 0.0013 Å
• b: 25.418 ± 0.002 Å
• c: 23.8913 ± 0.0019 Å
• α: 90°
• β: 94.8892 ± 0.001°
• γ: 90°
• Cell volume: 9442.2 ± 1.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No