Information card for entry 4327539

Structure parameters

• Formula: C32.5 H51 Fe N7 O12.5
• Calculated formula: C32.25 H24 Fe N7 O12.5
• Title of publication: Hexadentate Hydroxypyridonate Iron Chelators Based on TREN-Me-3,2-HOPO: Variation of Cap Size1
• Authors of publication: Jide Xu; Brendon O'Sulliva; Kenneth N. Raymond
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6731 - 6742
• a: 13.5294 ± 0.0003 Å
• b: 19.7831 ± 0.0004 Å
• c: 27.2439 ± 0.0004 Å
• α: 90°
• β: 101.15°
• γ: 90°
• Cell volume: 7154.3 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No