Information card for entry 4510524

Structure parameters

• Formula: C9 H13 N O3 S Zn
• Calculated formula: C9 H13 N O3 S Zn
• Title of publication: New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer
• Authors of publication: Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2599
• a: 9.579 ± 0.0012 Å
• b: 9.579 ± 0.0012 Å
• c: 12.11 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1111.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No