Information card for entry 7022575

Structure parameters

• Formula: C60 H67 Fe2 Gd2 N5 O20
• Calculated formula: C60 H67 Fe2 Gd2 N5 O20
• 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: 21.4105 ± 0.0014 Å
• b: 12.3502 ± 0.0008 Å
• c: 23.3265 ± 0.0015 Å
• α: 90°
• β: 90.21 ± 0.001°
• γ: 90°
• Cell volume: 6168 ± 0.7 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: 0.0734
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No