Information card for entry 2312696

Structure parameters

• Chemical name: Poly[[aquadichlorido[μ~4~-4'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato][μ~3~-3'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato]tricopper(II)] monohydrate]
• Formula: C44 H28 Cl2 Cu3 N8 O10
• Calculated formula: C44 H28 Cl2 Cu3 N8 O10
• Title of publication: Construction of pyridine-functionalized metal-organic frameworks for the detection of flazasulfuron.
• Authors of publication: Zhao, Xiaoya; Su, Boya; Zhao, Qian; Lv, Wan; Chen, Litong; Huang, Lixin; Li, Xia; Liao, Shengyun
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 12
• a: 11.2134 ± 0.0006 Å
• b: 13.8055 ± 0.0007 Å
• c: 14.5447 ± 0.0008 Å
• α: 105.621 ± 0.005°
• β: 112.318 ± 0.005°
• γ: 91.39 ± 0.004°
• Cell volume: 1985.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0782
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes