Information card for entry 4134635

Structure parameters

• Formula: C115 H97 Fe3 N17 Na6 O6
• Calculated formula: C115 H97 Fe3 N17 Na6 O6
• Title of publication: Assembly of High-Spin [Fe₃] Clusters by Ligand-Based Multielectron Reduction.
• Authors of publication: Toniolo, Davide; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7301 - 7305
• a: 13.3029 ± 0.0003 Å
• b: 14.1443 ± 0.0003 Å
• c: 15.9246 ± 0.0004 Å
• α: 112.076 ± 0.002°
• β: 111.146 ± 0.002°
• γ: 92.244 ± 0.002°
• Cell volume: 2536.25 ± 0.12 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No