Information card for entry 7037668

Structure parameters

• Formula: C11 H12 Cl4 N2 O0.5 S2 Zn
• Calculated formula: C11 H12 Cl4 N2 O0.5 S2 Zn
• SMILES: O.S(c1cc[nH+]cc1)CSc1cc[nH+]cc1.[Zn](Cl)(Cl)([Cl-])[Cl-]
• 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: 7.6143 ± 0.0001 Å
• b: 7.7886 ± 0.0001 Å
• c: 29.5202 ± 0.0004 Å
• α: 92.63°
• β: 93.769 ± 0.001°
• γ: 90.327 ± 0.001°
• Cell volume: 1744.99 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No