Information card for entry 4345656

Structure parameters

• Formula: C74 H51 B F24 Fe N7 O
• Calculated formula: C74 H51 B F24 Fe N7 O
• Title of publication: Tuning the Fe(II/III) Redox Potential in Nonheme Fe(II)-Hydroxo Complexes through Primary and Secondary Coordination Sphere Modifications.
• Authors of publication: Gordon, Zachary; Drummond, Michael J.; Matson, Ellen M.; Bogart, Justin A.; Schelter, Eric J.; Lord, Richard L.; Fout, Alison R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4852 - 4863
• a: 11.646 ± 0.004 Å
• b: 16.072 ± 0.006 Å
• c: 20.491 ± 0.006 Å
• α: 108.756 ± 0.015°
• β: 96.652 ± 0.01°
• γ: 101.866 ± 0.014°
• Cell volume: 3485 ± 2 ų
• Cell temperature: 100.03 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No