Information card for entry 4326289

Structure parameters

• Formula: C26 H22 Br2 Cr Fe Mn N4 O14
• Calculated formula: C26 H22 Br2 Cr Fe Mn N4 O14
• Title of publication: Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets
• Authors of publication: Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9122 - 9130
• a: 13.6797 ± 0.0011 Å
• b: 15.2785 ± 0.0009 Å
• c: 16.0478 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3354.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No