Information card for entry 4513206

Structure parameters

• Formula: C12 H11 N2 O4 S Zn
• Calculated formula: C12 H11 N2 O4 S Zn
• Title of publication: A Series of Zinc(II) 3D →3D Interpenetrated Coordination Polymers Based On Thiophene-2,5-dicarboxylate and Bis(Imidazole) Derivative Linkers
• Authors of publication: Erer, Hakan; Yeşilel, Okan Zafer; Arıcı, Mürsel
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3201
• a: 8.4879 ± 0.0003 Å
• b: 13.2677 ± 0.0003 Å
• c: 14.2857 ± 0.0005 Å
• α: 90°
• β: 120.695 ± 0.003°
• γ: 90°
• Cell volume: 1383.39 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No