Information card for entry 7708023

Structure parameters

• Formula: C40 H48 Gd2 N4 O20 Ru2
• Calculated formula: C40 H48 Gd2 N4 O20 Ru2
• Title of publication: Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 "butterfly" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.
• Authors of publication: Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12265 - 12274
• a: 8.082 ± 0.0016 Å
• b: 17.209 ± 0.003 Å
• c: 17.212 ± 0.003 Å
• α: 90°
• β: 92.35 ± 0.03°
• γ: 90°
• Cell volume: 2391.9 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No