Information card for entry 4343256

Structure parameters

• Common name: tc75
• Formula: C15 H17.5 B F4 Fe0.5 N2.5 O2
• Calculated formula: C15 H17.5 B F4 Fe0.5 N2.5 O2
• 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: 9.187 Å
• b: 13.544 ± 0.001 Å
• c: 12.432 ± 0.001 Å
• α: 90°
• β: 95.747 ± 0.002°
• γ: 90°
• Cell volume: 1539.12 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No