Information card for entry 2312697

Structure parameters

• Chemical name: Poly[[diaquabis[μ~2~-4'-(pyridin-3-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato]bis(μ~2~-terephthalato)tricopper(II)] dihydrate]
• Formula: C60 H40 Cu3 N8 O20
• Calculated formula: C60 H40 Cu3 N8 O20
• 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: 10.3591 ± 0.001 Å
• b: 11.0086 ± 0.0009 Å
• c: 13.9603 ± 0.0014 Å
• α: 89.525 ± 0.007°
• β: 78.044 ± 0.008°
• γ: 66.947 ± 0.008°
• Cell volume: 1428.4 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.751
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes