Information card for entry 7118301

Structure parameters

• Formula: C108 H139 Fe6 N6 O50 Y3
• Calculated formula: C101 H107 Fe6 N6 O43 Y3
• Title of publication: Nine members of a family of nine-membered cyclic coordination clusters; Fe6Ln3 wheels (Ln = Gd to Lu and Y).
• Authors of publication: Kühne, Irina A; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1021 - 1024
• a: 29.172 ± 0.004 Å
• b: 25.835 ± 0.003 Å
• c: 20.884 ± 0.003 Å
• α: 90°
• β: 125.552 ± 0.009°
• γ: 90°
• Cell volume: 12805 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No