Information card for entry 4337467

Structure parameters

• Formula: C92 H112 B2 F8 Fe4 N22 O8
• Calculated formula: C92 H112 B2 F8 Fe4 N22 O8
• Title of publication: Versatile reactivity of a solvent-coordinated diiron(II) compound: synthesis and dioxygen reactivity of a mixed-valent Fe(II)Fe(III) species.
• Authors of publication: Majumdar, Amit; Apfel, Ulf-Peter; Jiang, Yunbo; Moënne-Loccoz, Pierre; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 167 - 181
• a: 17.2818 ± 0.0013 Å
• b: 17.5986 ± 0.0014 Å
• c: 23.455 ± 0.003 Å
• α: 100.636 ± 0.002°
• β: 95.959 ± 0.002°
• γ: 116.188 ± 0.001°
• Cell volume: 6150.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0959
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No