Information card for entry 4313145

Structure parameters

• Common name: [Li(THF)4]2[Fe3(mu-NTol)4Cl4]
• Formula: C60 H92 Cl4 Fe3 Li2 N4 O8
• Calculated formula: C60 H92 Cl4 Fe3 Li2 N4 O8
• Title of publication: Iron-Arylimide Clusters [Fem(NAr)nCl4]2- (m,n= 2, 2; 3, 4; 4, 4) from a Ferric Amide Precursor: Synthesis, Characterization, and Comparison to Fe-S Chemistry
• Authors of publication: Jeremiah S. Duncan; Tamim M. Nazif; Atul K. Verma; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1211 - 1224
• a: 14.4481 ± 0.0007 Å
• b: 32.386 ± 0.002 Å
• c: 14.4685 ± 0.0008 Å
• α: 90°
• β: 91.61 ± 0.0015°
• γ: 90°
• Cell volume: 6767.4 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.1097
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No