Information card for entry 7133103

Structure parameters

• Chemical name: Fe(QF–H)2
• Formula: C44 H32 Fe N10
• Calculated formula: C44 H32 Fe N10
• SMILES: [Fe]1234([N](=Nc5[n]1c1ccccc1cc5)C(=NN4c1ccccc1)c1ccccc1)[N](=Nc1[n]2c2c(cc1)cccc2)C(=NN3c1ccccc1)c1ccccc1
• Title of publication: Quinoline-based tetrazolium prochelators: formazan release, iron sequestration, and antiproliferative efficacy in cancer cells.
• Authors of publication: Sung, Yu-Shien; Tomat, Elisa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 48
• Pages of publication: 6150 - 6153
• a: 9.8316 ± 0.0011 Å
• b: 10.568 ± 0.001 Å
• c: 17.2201 ± 0.0018 Å
• α: 81.653 ± 0.003°
• β: 83.058 ± 0.004°
• γ: 85.688 ± 0.003°
• Cell volume: 1754.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No