Information card for entry 7104847

Structure parameters

• Formula: C13 H11 N O3 S Zn
• Calculated formula: C13 H10 N O3 S Zn
• Title of publication: A novel nonlinear optically active tubular coordination network based on two distinct homo-chiral helices
• Authors of publication: Han, Lei; Hong, Maochun; Wang, Ruihu; Luo, Junhua; Lin, Zhengzhong; Yuan, Daqiang
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 2580 - 2581
• a: 10.9901 ± 0.0012 Å
• b: 5.8238 ± 0.0007 Å
• c: 12.5648 ± 0.0013 Å
• α: 90°
• β: 112.091 ± 0.003°
• γ: 90°
• Cell volume: 745.16 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No