Information card for entry 4327203

Structure parameters

• Common name: Fe2(mu-NPh)2Cl2(NH2tBu)2.2THF
• Formula: C28 H48 Cl2 Fe2 N4 O2
• Calculated formula: C14 H24 Cl Fe N2 O
• Title of publication: Synthesis and Elaboration of the Dinuclear Iron-Imide Cluster Core [Fe2(μ-NR)2]2+
• Authors of publication: Jeremiah S. Duncan; Michael J. Zdilla; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1071 - 1080
• a: 10.784 ± 0.002 Å
• b: 8.84 ± 0.002 Å
• c: 17.492 ± 0.004 Å
• α: 90°
• β: 93.63 ± 0.03°
• γ: 90°
• Cell volume: 1664.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.1163
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No