Information card for entry 8105542

Structure parameters

• Formula: C14 H17 N3 O8 S Zn
• Calculated formula: C14 H17 N3 O8 S Zn
• Title of publication: Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2 N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS
• Authors of publication: Xue, Li-ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 61 - 63
• a: 6.3962 ± 0.0005 Å
• b: 6.9439 ± 0.0007 Å
• c: 20.4208 ± 0.0019 Å
• α: 93.04 ± 0.008°
• β: 96.337 ± 0.007°
• γ: 110.97 ± 0.008°
• Cell volume: 837.54 ± 0.14 ų
• Cell temperature: 288.23 ± 0.1 K
• Ambient diffraction temperature: 288.23 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No