Information card for entry 4306322

Structure parameters

• Formula: C49 H63 Fe2 Mn2 N9 O21
• Calculated formula: C49 H55 Fe2 Mn2 N9 O21
• Title of publication: Insertion of a Spin Crossover FeIII Complex into an Oxalate-Based Layered Material: Coexistence of Spin Canting and Spin Crossover in a Hybrid Magnet
• Authors of publication: Miguel Clemente-León; Eugeno Coronado; M. Carmen Giménez-López; Alejandra Soriano-Portillo; João C. Waerenborgh; Fernando S. Delgado; Catalina Ruiz-Pérez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9111 - 9120
• a: 10.287 ± 0.002 Å
• b: 15.608 ± 0.003 Å
• c: 34.978 ± 0.007 Å
• α: 90°
• β: 97.82 ± 0.03°
• γ: 90°
• Cell volume: 5563.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2464
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: white-beam
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No