Information card for entry 7037665

Structure parameters

• Formula: C26 H34 O6 Zn
• Calculated formula: C26 H34 O6 Zn
• SMILES: c1(ccc(cc1)CC(C)C)[C@@H](C(=O)O[Zn]([OH2])([OH2])OC(=O)[C@H](c1ccc(cc1)CC(C)C)C)C
• Title of publication: A new metal-organic polymeric system capable of stimuli-responsive controlled release of the drug ibuprofen.
• Authors of publication: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1614 - 1621
• a: 9.7324 ± 0.0009 Å
• b: 5.9746 ± 0.0005 Å
• c: 22.871 ± 0.002 Å
• α: 90°
• β: 93.764 ± 0.003°
• γ: 90°
• Cell volume: 1327 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No