Information card for entry 7120448

Structure parameters

• Formula: C42 H82 N2 O7 Si4 Sm2
• Calculated formula: C42 H82 N2 O7 Si4 Sm2
• 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: 17.0618 ± 0.0016 Å
• b: 17.018 ± 0.0016 Å
• c: 39.546 ± 0.004 Å
• α: 90°
• β: 96.6221 ± 0.0011°
• γ: 90°
• Cell volume: 11405.9 ± 1.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No