Information card for entry 7047208

Structure parameters

• Chemical name: [(TMEDA)Fe(II)(OTf)-(μ-OH)-Fe(III)MST]
• Formula: C40 H62 F3 Fe2 N6 O10 S4
• Calculated formula: C40 H62 F3 Fe2 N6 O10 S4
• Title of publication: Modular bimetallic complexes with a sulfonamido-based ligand.
• Authors of publication: Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12362 - 12372
• a: 39.226 ± 0.003 Å
• b: 16.9526 ± 0.0013 Å
• c: 18.8719 ± 0.0014 Å
• α: 90°
• β: 110.887 ± 0.0009°
• γ: 90°
• Cell volume: 11724.8 ± 1.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No