Information card for entry 4306273

Structure parameters

• Formula: C40 H74 Fe3 N3 O16
• Calculated formula: C40 H74 Fe3 N3 O16
• Title of publication: Structural and Magnetic Characterization of a μ-1,5-Dicyanamide-Bridged Iron Basic Carboxylate [Fe3O(O2C(CH3)3)6] 1D Chain
• Authors of publication: Pablo Alborés; Eva Rentschler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7960 - 7962
• a: 14.461 ± 0.007 Å
• b: 19.034 ± 0.009 Å
• c: 20.51 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5645 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Residual factor for all reflections: 0.2385
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No