Information card for entry 7047206

Structure parameters

• Chemical name: [(TMEDA)Ni(II)(Br)-(μ-OH)-Fe(III)MST]
• Formula: C40 H64 Br Cl2 Fe N6 Ni O7 S3
• Calculated formula: C40 H64 Br Cl2 Fe N6 Ni 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: 21.816 ± 0.0018 Å
• b: 13.1714 ± 0.0011 Å
• c: 17.6057 ± 0.0014 Å
• α: 90°
• β: 107.535 ± 0.001°
• γ: 90°
• Cell volume: 4823.9 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No