Information card for entry 7017065

Structure parameters

• Formula: C25 H31 Cu N4 O9
• Calculated formula: C25 H31 Cu N4 O9
• SMILES: [Cu]12([N](=CC3=Cc4c(cc(cc4)N(CC)CC)OC3=[O]1)N=C(c1c(cccc1)O)O2)(ON(=O)=O)[OH]CC.C(C)O
• Title of publication: Cu(2+)-selective fluorescent chemosensor based on coumarin and its application in bioimaging.
• Authors of publication: Huang, Liang; Cheng, Ju; Xie, Kefeng; Xi, Pinxian; Hou, Fengping; Li, Zhengpeng; Xie, Guoqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 41
• Pages of publication: 10815 - 10817
• a: 8.369 ± 0.003 Å
• b: 13.433 ± 0.005 Å
• c: 24.915 ± 0.01 Å
• α: 90°
• β: 90.208 ± 0.004°
• γ: 90°
• Cell volume: 2800.9 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No