Information card for entry 4306323

Structure parameters

• Formula: C23.5 H24 In Mn N4 O10
• Calculated formula: C23.5 H24 In Mn N4 O10
• 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: 17.394 ± 0.0003 Å
• b: 15.387 ± 0.0006 Å
• c: 10.382 ± 0.0006 Å
• α: 90°
• β: 97.296 ± 0.0018°
• γ: 90°
• Cell volume: 2756.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No