Information card for entry 7048076

Structure parameters

• Formula: C60 H100 K2 O15 Tb
• Calculated formula: C60 H100 K2 O15 Tb
• Title of publication: Isolation of reactive Ln(ii) complexes with C₅H₄Me ligands (Cp^Me) using inverse sandwich countercations: synthesis and structure of [(18-crown-6)K(μ-Cp^Me)K(18-crown-6)][Cp^Me₃Ln^II] (Ln = Tb, Ho).
• Authors of publication: Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17285 - 17290
• a: 9.593 ± 0.003 Å
• b: 26.141 ± 0.009 Å
• c: 25.231 ± 0.008 Å
• α: 90°
• β: 90.774 ± 0.004°
• γ: 90°
• Cell volume: 6327 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No