Information card for entry 4324477

Structure parameters

• Common name: Fe4(N-p-Tol)4(SMes)4, tetragonal form
• Formula: C67 H75 Fe4 N4 S4
• Calculated formula: C67 H75 Fe4 N4 S4
• Title of publication: Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes
• Authors of publication: Michael J. Zdilla; Atul K. Verma; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1551 - 1562
• a: 17.1488 ± 0.0008 Å
• b: 17.1488 ± 0.0008 Å
• c: 43.475 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12785.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.0872
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No