Information card for entry 4311437

Structure parameters

• Formula: C90.5 H82 Cl4 Fe5 N4 O20
• Calculated formula: C90.5 H79 Cl4 Fe5 N4 O20
• 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: 14.4742 ± 0.0013 Å
• b: 15.479 ± 0.0015 Å
• c: 21.1155 ± 0.0018 Å
• α: 87.069 ± 0.011°
• β: 79.397 ± 0.01°
• γ: 69.702 ± 0.01°
• Cell volume: 4360.9 ± 0.8 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: 0.0918
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No