Information card for entry 4124749

Structure parameters

• Formula: C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2
• Calculated formula: C161 H104 B3 Br2 Cl2 F72 Fe2 N10 O2
• Title of publication: Electron Hopping through Double-Exchange Coupling in a Mixed-Valence Diiminobenzoquinone-Bridged Fe2 Complex.
• Authors of publication: Gaudette, Alexandra I.; Jeon, Ie-Rang; Anderson, John S.; Grandjean, Fernande; Long, Gary J.; Harris, T. David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 39
• Pages of publication: 12617 - 12626
• a: 16.461 ± 0.006 Å
• b: 23.978 ± 0.009 Å
• c: 46.22 ± 0.02 Å
• α: 74.978 ± 0.012°
• β: 89.07 ± 0.015°
• γ: 71.113 ± 0.009°
• Cell volume: 16625 ± 11 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2146
• Residual factor for significantly intense reflections: 0.1286
• Weighted residual factors for significantly intense reflections: 0.2952
• Weighted residual factors for all reflections included in the refinement: 0.3524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No