Information card for entry 7110065

Structure parameters

• Formula: C36 H42 N4 O20 Zn3
• Calculated formula: C36 H37.5 N4 O20 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: 11.2503 ± 0.0001 Å
• b: 11.2503 ± 0.0001 Å
• c: 59.786 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6553.27 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No