Information card for entry 4343254

Structure parameters

• Common name: tc72
• Formula: C38 H38.5 F6 Fe N8 O6.25 S2
• Calculated formula: C38 H38.5 F6 Fe N8 O6.25 S2
• Title of publication: Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.
• Authors of publication: Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R.; Chang, Christopher J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5879 - 5887
• a: 11.7951 ± 0.0007 Å
• b: 19.078 ± 0.0011 Å
• c: 20.3135 ± 0.0012 Å
• α: 78.716 ± 0.0013°
• β: 88.048 ± 0.0012°
• γ: 74.808 ± 0.0012°
• Cell volume: 4325.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No