Information card for entry 7112369

Structure parameters

• Formula: C50.5 H53 Fe2 N12 O28 Y2
• Calculated formula: C50.5 H53 Fe2 N12 O28 Y2
• 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: 10.7679 ± 0.0016 Å
• b: 19.98 ± 0.003 Å
• c: 15.372 ± 0.002 Å
• α: 90°
• β: 101.793 ± 0.002°
• γ: 90°
• Cell volume: 3237.4 ± 0.8 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: 0.0714
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No