Information card for entry 7037667

Structure parameters

• Formula: C22 H20 Cl2 N4 S4 Zn
• Calculated formula: C22 H20 Cl2 N4 S4 Zn
• SMILES: [Zn](Cl)(Cl)([n]1ccc(SCSc2ccncc2)cc1)[n]1ccc(SCSc2ccncc2)cc1
• 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: 8.1234 ± 0.0004 Å
• b: 10.1959 ± 0.0005 Å
• c: 15.7514 ± 0.0008 Å
• α: 90°
• β: 102.363 ± 0.0014°
• γ: 90°
• Cell volume: 1274.36 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No