Information card for entry 4327212

Structure parameters

• Common name: Fe2(mu-NtBu)2Cl2(PEt3)2
• Formula: C20 H48 Cl2 Fe2 N2 P2
• Calculated formula: C20 H48 Cl2 Fe2 N2 P2
• SMILES: [Fe]12([Fe](Cl)([P](CC)(CC)CC)(N1C(C)(C)C)N2C(C)(C)C)(Cl)[P](CC)(CC)CC
• 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: 8.6982 ± 0.0003 Å
• b: 18.3233 ± 0.0009 Å
• c: 18.1204 ± 0.0008 Å
• α: 90°
• β: 92.203 ± 0.002°
• γ: 90°
• Cell volume: 2885.9 ± 0.2 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: 0.0776
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.1048
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No