Information card for entry 7038936

Structure parameters

• Formula: C25 H29 Cd Cl2 N3 O5
• Calculated formula: C25 H29 Cd Cl2 N3 O5
• SMILES: [Cd]123(Cl)(Cl)[O](c4c5[n]3c(ccc5ccc4)C)Cc3[n]2c(C[N]1(CC(=O)OCC)CC(=O)OCC)ccc3
• Title of publication: A new quinoline-based fluorescent probe for Cd(2+) and Hg(2+) with an opposite response in a 100% aqueous environment and live cell imaging.
• Authors of publication: Lu, Hong-Lin; Wang, Wei-Kang; Tan, Xing-Xing; Luo, Xiao-Fei; Zhang, Mao-Lin; Zhang, Mei; Zang, Shuang-Quan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 8174 - 8181
• a: 9.738 ± 0.0003 Å
• b: 18.6367 ± 0.0005 Å
• c: 15.4077 ± 0.0005 Å
• α: 90°
• β: 107.382 ± 0.003°
• γ: 90°
• Cell volume: 2668.56 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No