Information card for entry 4330490

Structure parameters

• Formula: C103 H93 Br2 Fe6 N12
• Calculated formula: C103 H93 Br2 Fe6 N12
• Title of publication: Site-Isolated Redox Reactivity in a Trinuclear Iron Complex
• Authors of publication: Emily V. Eames; Theodore A. Betley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10274 - 10278
• a: 20.5157 ± 0.0019 Å
• b: 16.5388 ± 0.0015 Å
• c: 26.062 ± 0.002 Å
• α: 90°
• β: 99.657 ± 0.002°
• γ: 90°
• Cell volume: 8717.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No