Information card for entry 7047205

Structure parameters

• Chemical name: [(en)2Fe(II)-(μ-OH)-Fe(III)MST]OTf
• Formula: C46 H78 Cl2 F3 Fe2 N8 O10 S4
• Calculated formula: C46 H77 Cl2 F3 Fe2 N8 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: 9.0701 ± 0.0008 Å
• b: 17.9865 ± 0.0015 Å
• c: 18.8049 ± 0.0016 Å
• α: 107.856 ± 0.0011°
• β: 94.8064 ± 0.0012°
• γ: 97.9985 ± 0.001°
• Cell volume: 2865.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No