Information card for entry 4315079

Structure parameters

• Formula: C64 H68 Cl2 Fe4 N12 O21
• Calculated formula: C64 H68 Cl2 Fe4 N12 O21
• Title of publication: Discrete Tetrairon(III) Cluster Exhibiting a Square-Planar Fe4(μ4-O) Core: Structural and Magnetic Properties
• Authors of publication: Mariappan Murali; Sanjit Nayak; José Sánchez Costa; Joan Ribas; Ilpo Mutikainen; Urho Turpeinen; Martin Clémancey; Ricardo Garcia-Serres; Jean-Marc Latour; Patrick Gamez; Geneviève Blondin; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2427 - 2434
• a: 13.4012 ± 0.0015 Å
• b: 13.4012 ± 0.0015 Å
• c: 37.099 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6662.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No