Information card for entry 7721140

Structure parameters

• Formula: C37 H56.4 Ce Fe2 N14 O24.7
• Calculated formula: C37 H56.4 Ce Fe2 N14 O24.7
• Title of publication: Novel Fe₄ cluster topology from a new hexadentate chelate: magnetic analysis by experimental, DFT, and magnetostructural correlation methods.
• Authors of publication: Diodati, Alexander; Brantley, ChristiAnna L; Peralta, Juan E.; Figueroa, Amelia; Dobrzycki, Lukasz; Abboud, Khalil A.; Christou, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 15.6621 ± 0.0003 Å
• b: 16.9239 ± 0.0004 Å
• c: 19.0133 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5039.74 ± 0.19 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No