Information card for entry 7237274

Structure parameters

• Formula: C71 H142 Dy4 Fe7 N11 O47
• Calculated formula: C65 H133 Dy4 Fe7 N8 O47
• Title of publication: Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets
• Authors of publication: Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 2862
• a: 43.6168 ± 0.0015 Å
• b: 19.7236 ± 0.0007 Å
• c: 30.5768 ± 0.0011 Å
• α: 90°
• β: 125.495 ± 0.002°
• γ: 90°
• Cell volume: 21416.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No