Information card for entry 7112370

Structure parameters

• Formula: C50.5 H53 Dy2 Fe2 N12 O28
• Calculated formula: C50.5 H53 Dy2 Fe2 N12 O28
• Title of publication: Direct observation of the role of lanthanides in stabilizing a ferromagnetic spin orientation in a weak Fe(III)-Fe(III) antiferromagnet.
• Authors of publication: Xiang, Hua; Mereacre, Valeriu; Lan, Yanhua; Lu, Tong-Bu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 67
• Pages of publication: 7385 - 7387
• a: 10.7598 ± 0.0008 Å
• b: 20.0249 ± 0.0014 Å
• c: 15.3646 ± 0.0011 Å
• α: 90°
• β: 101.813 ± 0.001°
• γ: 90°
• Cell volume: 3240.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0311
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No