Information card for entry 7700947

Structure parameters

• Formula: C42 H106 Dy6 N12 O44
• Calculated formula: C42 H106 Dy6 N12 O43.9998
• Title of publication: New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics.
• Authors of publication: Langley, Stuart K.; Vignesh, Kuduva R.; Gupta, Tulika; Gartshore, Christopher J.; Rajaraman, Gopalan; Forsyth, Craig M.; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15657 - 15667
• a: 15.64 ± 0.0009 Å
• b: 15.64 ± 0.0009 Å
• c: 25.8676 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5479.7 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No