Information card for entry 7110064

Structure parameters

• Formula: C30 H28 N2 O14 Zn3
• Calculated formula: C30 H28 N2 O14 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: 8.127 ± 0.003 Å
• b: 9.909 ± 0.003 Å
• c: 11.353 ± 0.004 Å
• α: 107.182 ± 0.002°
• β: 90.439 ± 0.004°
• γ: 113.787 ± 0.003°
• Cell volume: 790.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron'
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No