Information card for entry 4330487

Structure parameters

• Formula: C52 H47 Cl Fe3 N7
• Calculated formula: C52 H47 Cl Fe3 N7
• 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: 10.64 ± 0.0014 Å
• b: 13.8195 ± 0.0018 Å
• c: 17.468 ± 0.002 Å
• α: 99.426 ± 0.002°
• β: 103.926 ± 0.002°
• γ: 111.921 ± 0.002°
• Cell volume: 2219.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No