Information card for entry 4313448

Structure parameters

• Formula: C26 H40 Cl Fe N4 O6
• Calculated formula: C26 H40 Cl Fe N4 O6
• SMILES: [Fe]12345[NH](Cc6c(O1)c(ccc6)CC)CCC[NH]2CC[NH]4CCC[NH]5Cc1cccc(c1O3)CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Metalloantimalarials: Targeting of P. falciparum Strains with Novel Iron(III) and Gallium(III) Complexes of an Amine Phenol Ligand
• Authors of publication: Scott E. Harpstrite; Alicia A. Beatty; Silvia D. Collins; Anna Oksman; Daniel E. Goldberg; Vijay Sharma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2294 - 2300
• a: 11.1321 ± 0.0005 Å
• b: 16.2569 ± 0.0007 Å
• c: 15.9053 ± 0.0006 Å
• α: 90°
• β: 103.601 ± 0.001°
• γ: 90°
• Cell volume: 2797.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No