Information card for entry 7108794

Structure parameters

• Formula: C12 H40 N4 O16 Zr
• Calculated formula: C12 H39.61 N4 O15.805 Zr
• Title of publication: Investigation of Zr(IV) and 89Zr(IV) complexation with hydroxamates: progress towards designing a better chelator than desferrioxamine B for immuno-PET imaging
• Authors of publication: Francois Guerard; Yong-Sok Lee; Raphael Tripier; Lawrence P. Szajek; Jeffrey R. Deschamps; Martin W. Brechbiel
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 49
• Pages of publication: 1002
• a: 17.8295 ± 0.0012 Å
• b: 14.3111 ± 0.0014 Å
• c: 13.2223 ± 0.0008 Å
• α: 90°
• β: 129.061 ± 0.002°
• γ: 90°
• Cell volume: 2619.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No