Information card for entry 7700946

Structure parameters

• Formula: C45 H74 Cl2 Ho3 N9 O18
• Calculated formula: C45 H73.9996 Cl1.9999 Ho3 N9 O17.9998
• 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: 17.5514 ± 0.0004 Å
• b: 17.5514 ± 0.0004 Å
• c: 13.1932 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3519.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No