Information card for entry 7237277

Structure parameters

• Formula: C71 H142 Fe7 N11 O47 Y4
• Calculated formula: C71 H133 Fe7 N11 O47 Y4
• 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: 43.5252 ± 0.0018 Å
• b: 19.688 ± 0.0008 Å
• c: 30.3545 ± 0.0012 Å
• α: 90°
• β: 125.505 ± 0.001°
• γ: 90°
• Cell volume: 21175.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No