Information card for entry 4312614

Structure parameters

• Formula: C71 H151 Cl3 Fe10 O40
• Calculated formula: C71 H151 Cl3 Fe10 O40
• 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: 18.94 ± 0.001 Å
• b: 19.054 ± 0.001 Å
• c: 19.0964 ± 0.001 Å
• α: 112.896 ± 0.001°
• β: 102.991 ± 0.001°
• γ: 109.123 ± 0.001°
• Cell volume: 5485.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No