Information card for entry 4345196

Structure parameters

• Formula: C45.4 H100.12 Fe4 Gd2 N25.96 O21.36
• Calculated formula: C45.4 H100.12 Fe4 Gd2 N25.96 O21.36
• Title of publication: A Three-Pronged Attack To Investigate the Electronic Structure of a Family of Ferromagnetic Fe4Ln2 Cyclic Coordination Clusters: A Combined Magnetic Susceptibility, High-Field/High-Frequency Electron Paramagnetic Resonance, and (57)Fe Mössbauer Study.
• Authors of publication: Schmidt, Sebastian F. M.; Koo, Changhyun; Mereacre, Valeriu; Park, Jaena; Heermann, Dieter W.; Kataev, Vladislav; Anson, Christopher E.; Prodius, Denis; Novitchi, Ghenadie; Klingeler, Rüdiger; Powell, Annie K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4796 - 4806
• a: 10.2661 ± 0.0008 Å
• b: 17.1652 ± 0.0012 Å
• c: 22.8568 ± 0.0019 Å
• α: 90°
• β: 100.929 ± 0.007°
• γ: 90°
• Cell volume: 3954.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No