Information card for entry 7110066

Structure parameters

• Formula: C33 H33 N5 O11 Zn3
• Calculated formula: C30 H24 N4 O12 Zn3
• Title of publication: Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks
• Authors of publication: Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11260
• a: 9.735 ± 0.0001 Å
• b: 18.876 ± 0.0003 Å
• c: 11.594 ± 0.0002 Å
• α: 90°
• β: 108.518 ± 0.001°
• γ: 90°
• Cell volume: 2020.18 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No