Information card for entry 7039726

Structure parameters

• Formula: C27 H23 Cd Cl2 N3 O4
• Calculated formula: C27 H23 Cd Cl2 N3 O4
• SMILES: [Cd]1234(Cl)(Cl)[n]5c6c(ccc(CO)c6ccc5)[O]3Cc3cccc(C[O]4c4ccc(c5c4[n]2ccc5)CO)[n]13
• Title of publication: A selective fluorescent probe for the detection of Cd(2+) in different buffer solutions and water.
• Authors of publication: Xu, Zheng; Li, Guoqiang; Ren, Yuan-Yuan; Huang, Hua; Wen, Xiaoping; Xu, Qiang; Fan, Xiaotian; Huang, Zhao; Huang, Junhai; Xu, Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12087 - 12093
• a: 14.726 ± 0.007 Å
• b: 10.43 ± 0.005 Å
• c: 17.323 ± 0.008 Å
• α: 90°
• β: 112.032 ± 0.007°
• γ: 90°
• Cell volume: 2466 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No