Information card for entry 4327206

Structure parameters

• Common name: (NEt4)2[Fe2(mu-NpTol)2Cl4]
• Formula: C30 H54 Cl4 Fe2 N4
• Calculated formula: C30 H54 Cl4 Fe2 N4
• SMILES: c1(ccc(cc1)C)N1[Fe]2(Cl)(N(c3ccc(cc3)C)[Fe]12(Cl)Cl)Cl.C(C)[N+](CC)(CC)CC.C(C)[N+](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: 11.2513 ± 0.0004 Å
• b: 11.266 ± 0.0005 Å
• c: 14.3038 ± 0.0006 Å
• α: 90°
• β: 92.351 ± 0.002°
• γ: 90°
• Cell volume: 1811.58 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.1111
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No