Information card for entry 7224762

Structure parameters

• Formula: C22 H24 N3.2 O2.8 Zn0.8
• Calculated formula: C22 H24 N3.2 O2.8 Zn0.8
• SMILES: CCN(CC)c1cc2c(cc1)C=[N]1c3ccccc3c3[nH]c4ccccc4[n]3[Zn]31(OC(=[O]3)C)O2.CC(C)O
• Title of publication: A Single Chemosensor for Bimetal Cu(II) and Zn(II) in Aqueous Medium
• Authors of publication: Liao, Zhuang; Wang, Dan; Zheng, Jianquan; Tan, Hongwei; Zheng, Xiangjun; Jin, Lin-Pei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.646 ± 0.002 Å
• b: 18.537 ± 0.002 Å
• c: 15.4375 ± 0.0018 Å
• α: 90°
• β: 117.913 ± 0.002°
• γ: 90°
• Cell volume: 5220.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No