Information card for entry 4311728

Structure parameters

• Formula: C40 H98 F6 Fe6 N6 O18
• Calculated formula: C40 H90 F6 Fe6 N6 O18
• Title of publication: Synthesis and Magnetic Properties of Wheel-Shaped [Mn12] and [Fe6] Complexes
• Authors of publication: Evan M. Rumberger; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6531 - 6533
• a: 8.6256 ± 0.0014 Å
• b: 13.532 ± 0.002 Å
• c: 15.233 ± 0.002 Å
• α: 114.095 ± 0.002°
• β: 98.17 ± 0.003°
• γ: 102.634 ± 0.003°
• Cell volume: 1529.4 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No