Information card for entry 4312613

Structure parameters

• Formula: C135 H109 Cl9 Fe8 O37
• Calculated formula: C135 H109 Cl9 Fe8 O37
• 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: 13.3295 ± 0.0017 Å
• b: 21.096 ± 0.003 Å
• c: 25.189 ± 0.003 Å
• α: 90°
• β: 100.78 ± 0.003°
• γ: 90°
• Cell volume: 6958.1 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1899
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No