Information card for entry 4312611

Structure parameters

• Formula: C60 H65 Cl Fe6 N6 O28
• Calculated formula: C60 H65 Cl Fe6 N6 O28
• Title of publication: Methanolysis and Phenolysis Routes to Fe6, Fe8, and Fe10 Complexes and Their Magnetic Properties: A New Type of Fe8 Ferric Wheel
• Authors of publication: Cristina Cañada-Vilalta; Ted A. O'Brien; Maren Pink; Ernest R. Davidson; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7819 - 7829
• a: 21.1897 ± 0.0009 Å
• b: 14.9275 ± 0.0006 Å
• c: 23.1963 ± 0.001 Å
• α: 90°
• β: 105.171 ± 0.001°
• γ: 90°
• Cell volume: 7081.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No