Information card for entry 7110063

Structure parameters

• Formula: C18 H19 N2 O7 Zn1.5
• Calculated formula: C18 H19 N2 O7 Zn1.5
• 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: 9.775 ± 0.0001 Å
• b: 18.958 ± 0.0002 Å
• c: 11.469 ± 0.0001 Å
• α: 90°
• β: 111.354 ± 0.001°
• γ: 90°
• Cell volume: 1979.46 ± 0.04 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: 0.0288
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No