Information card for entry 7709263

Structure parameters

• Formula: C104 H90 Cl4 Fe2 N10 O8
• Calculated formula: C104 H90 Cl4 Fe2 N10 O8
• Title of publication: Hydrogen-atom and oxygen-atom transfer reactivities of iron(iv)-oxo complexes of quinoline-substituted pentadentate ligands
• Authors of publication: Munshi, Sandip; Sinha, Arup; Yiga, Solomon; Banerjee, Sridhar; Singh, Reena; Hossain, Md. Kamal; Haukka, Matti; Valiati, Andrei Felipe; Huelsmann, Ricardo Dagnoni; Martendal, Edmar; Peralta, Rosely; Xavier, Fernando; Wendt, Ola F.; Paine, Tapan K.; Nordlander, Ebbe
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.045 ± 0.002 Å
• b: 15.049 ± 0.004 Å
• c: 15.944 ± 0.004 Å
• α: 74.903 ± 0.007°
• β: 85.255 ± 0.007°
• γ: 74.213 ± 0.007°
• Cell volume: 2239.1 ± 0.9 ų
• Cell temperature: 100.05 K
• Ambient diffraction temperature: 100.05 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No