Information card for entry 4331151

Structure parameters

• Common name: [Fe^II^{(CN)Fe^III^(esaldpt)}~6~]Cl~2~.20.5H~2~O
• Formula: C150 H229 Cl2 Fe7 N24 O44.5
• Calculated formula: C150 H188 Fe7 N24 O24
• Title of publication: Mixed-Valence Heptanuclear Iron Complexes with Ferromagnetic Interaction
• Authors of publication: Ivan Šalitroš; Roman Boča; Radovan Herchel; Ján Moncol; Ivan Nemec; Mario Ruben; Franz Renz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12755 - 12767
• a: 17.533 ± 0.004 Å
• b: 16.893 ± 0.003 Å
• c: 29.972 ± 0.006 Å
• α: 90 ± 0.005°
• β: 102.23 ± 0.03°
• γ: 90 ± 0.005°
• Cell volume: 8676 ± 3 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: 0.12
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No