Information card for entry 7700394

Structure parameters

• Formula: C64 H76 Fe10 N16 O48
• Calculated formula: C64 H76 Fe10 N16 O48
• Title of publication: Decanuclear Fe^III clusters with hemiacetal ligands: a new {M₁₀(μ₃-O)₈} cluster core.
• Authors of publication: Mayans, J.; Roc, L.; Font-Bardia, M; Escuer, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13139 - 13142
• a: 18.18 ± 0.004 Å
• b: 18.18 ± 0.004 Å
• c: 16.36 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5407 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No