Information card for entry 7134989

Structure parameters

• Formula: C9 H9 F O3
• Calculated formula: C9 H9 F O3
• Title of publication: An Fe(II) complex detects hydrogen peroxide with ¹H and ¹⁹F magnetic resonance imaging responses.
• Authors of publication: Karbalaei, Sana; Franke, Alicja; Zahl, Achim; Pokkuluri, P. Raj; Beyers, Ronald J.; Ivanović-Burmazović, Ivana; Goldsmith, Christian R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 81
• Pages of publication: 15898 - 15901
• a: 18.7223 ± 0.0013 Å
• b: 11.2619 ± 0.0007 Å
• c: 8.6284 ± 0.0007 Å
• α: 90°
• β: 109.598 ± 0.003°
• γ: 90°
• Cell volume: 1713.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No