Information card for entry 7022579

Structure parameters

• Formula: C60 H67 Fe2 N5 O20 Y2
• Calculated formula: C60 H67 Fe2 N5 O20 Y2
• Title of publication: Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.
• Authors of publication: Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8926 - 8938
• a: 18.7266 ± 0.0016 Å
• b: 15.8981 ± 0.0011 Å
• c: 22.0196 ± 0.0018 Å
• α: 90°
• β: 110.23 ± 0.006°
• γ: 90°
• Cell volume: 6151.2 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No