Information card for entry 2021958

Structure parameters

• Chemical name: Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene][μ-(<i>S</i>)-4-(1-carboxylatoethoxy)benzoato]zinc(II)] monohydrate]
• Formula: C24 H24 N4 O6 Zn
• Calculated formula: C24 H24 N4 O6 Zn
• Title of publication: Temperature-induced solid-to-solid transformation in helical homochiral coordination polymers
• Authors of publication: Xu, Zhong-Xuan; Chen, Guo-Guo; Li, Li-Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• a: 8.288 ± 0.0004 Å
• b: 14.3767 ± 0.0007 Å
• c: 10.2288 ± 0.0006 Å
• α: 90°
• β: 104.514 ± 0.005°
• γ: 90°
• Cell volume: 1179.91 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes