Information card for entry 4311436

Structure parameters

• Formula: C52.5 H66.5 Cl9 Fe5 N4 O18.25
• Calculated formula: C52.5 H66 Cl9 Fe5 N4 O18.25
• Title of publication: Synthesis and Characterization of a New Family of Bi-, Tri-, Tetra-, and Pentanuclear Ferric Complexes
• Authors of publication: Colette Boskovic; Andreas Sieber; Grégory Chaboussant; Hans U. Güdel; Jürgen Ensling; Wolfgang Wernsdorfer; Antonia Neels; Gael Labat; Helen Stoeckli-Evans; Stefan Janssen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5053 - 5068
• a: 14.6913 ± 0.0012 Å
• b: 23.5238 ± 0.0018 Å
• c: 23.4482 ± 0.0018 Å
• α: 62.31 ± 0.008°
• β: 88.319 ± 0.01°
• γ: 72.627 ± 0.009°
• Cell volume: 6790.5 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No