Information card for entry 4319856

Structure parameters

• Formula: C64 H144 Cl Cs Fe8 N8 O32
• Calculated formula: C64 H96 Cl Cs Fe8 N8 O32.012
• Title of publication: Magnetic Anisotropy of a Cyclic Octanuclear Fe(III) Cluster and Magneto-Structural Correlations in Molecular Ferric Wheels
• Authors of publication: O. Waldmann; R. Koch; S. Schromm; J. Schülein; P. Müller; I. Bernt; R. W. Saalfrank; F. Hampel; E. Balthes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2986 - 2995
• a: 18.3 ± 0.003 Å
• b: 18.3 ± 0.003 Å
• c: 13.242 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4434.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No