Information card for entry 7041110

Structure parameters

• Formula: C144 H207 Dy3 N6 O18
• Calculated formula: C144 H207.003 Dy3 N6 O18
• Title of publication: Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet.
• Authors of publication: Grindell, Richard; Vieru, Veacheslav; Pugh, Thomas; Chibotaru, Liviu F.; Layfield, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16556 - 16560
• a: 30.2821 ± 0.0016 Å
• b: 13.7793 ± 0.0005 Å
• c: 34.9863 ± 0.0009 Å
• α: 90°
• β: 96.055 ± 0.003°
• γ: 90°
• Cell volume: 14517.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0962
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No