Information card for entry 4341404

Structure parameters

• Formula: C47 H26 Br6 Cr Fe Mn N8 O14
• Calculated formula: C47 H26 Br6 Cr Fe Mn N8 O14
• Title of publication: One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.
• Authors of publication: Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141028153405005
• a: 14.1383 ± 0.0007 Å
• b: 22.3075 ± 0.001 Å
• c: 23.4765 ± 0.0011 Å
• α: 90°
• β: 103.2 ± 0.005°
• γ: 90°
• Cell volume: 7208.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2493
• Residual factor for significantly intense reflections: 0.1505
• Weighted residual factors for significantly intense reflections: 0.3565
• Weighted residual factors for all reflections included in the refinement: 0.4105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No