Information card for entry 4304277

Structure parameters

• Formula: C60 H70 Fe6 N20 O30
• Calculated formula: C48 H52 Fe6 N14 O30
• Title of publication: New Fe4, Fe6, and Fe8 Clusters of Iron(III) from the Use of 2-Pyridyl Alcohols: Structural, Magnetic, and Computational Characterization
• Authors of publication: Taketo Taguchi; Theocharis C. Stamatatos; Khalil A. Abboud; Candace M. Jones; Katye M. Poole; Ted A. O'Brien; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4095 - 4108
• a: 11.8677 ± 0.0008 Å
• b: 13.0369 ± 0.0009 Å
• c: 13.9403 ± 0.001 Å
• α: 64.628 ± 0.002°
• β: 82.289 ± 0.002°
• γ: 73.042 ± 0.002°
• Cell volume: 1863.9 ± 0.2 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: 0.062
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No