Information card for entry 7118299

Structure parameters

• Formula: C112 H151 Fe6 N6 O52 Yb3
• Calculated formula: C101.375 H108.5 Fe6 N6 O41.375 Yb3
• 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: 19.6191 ± 0.0015 Å
• b: 22.3573 ± 0.0017 Å
• c: 31.163 ± 0.003 Å
• α: 77.52 ± 0.002°
• β: 80.86 ± 0.002°
• γ: 71.74 ± 0.001°
• Cell volume: 12612.6 ± 1.8 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: 0.1406
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No