Information card for entry 7047203

Structure parameters

• Chemical name: [(TMEDA)Fe(II)(N3)-(μ-OH)-Fe(III)MST]
• Formula: C39 H62 Fe2 N9 O7 S3
• Calculated formula: C39 H62 Fe2 N9 O7 S3
• 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: 34.1173 ± 0.0018 Å
• b: 34.1173 ± 0.0018 Å
• c: 21.0137 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21182.8 ± 1.9 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No