Information card for entry 4307419

Structure parameters

• Formula: C15 H12 Fe2 N6 O8
• Calculated formula: C15 H9 Fe2 N6 O8
• Title of publication: Self-Assembled Cationic Heterochiral Honeycomb-Layered Metal Complexes with the in Situ Generated Pyrimidine-2-carboxylato Bisdidentate Ligand. Hydrothermal Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Study of [M2(μ-pymca)3]OH.H2O (M = FeII, CoII)
• Authors of publication: Antonio Rodríguez-Diéguez; Joan Cano; Raikko Kivekäs; Abderrahmane Debdoubi; Enrique Colacio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2503 - 2510
• a: 9.6956 ± 0.0008 Å
• b: 9.6956 ± 0.0008 Å
• c: 6.053 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 492.78 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 157
• Hermann-Mauguin space group symbol: P 3 1 m
• Hall space group symbol: P 3 -2
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No