Information card for entry 7023103

Structure parameters

• Formula: C46 H42 Cd Cl2 N8 O8
• Calculated formula: C46 H42 Cd Cl2 N8 O8
• SMILES: [Cd]12345([N](CC[N]1(Cc1[n]4ccc4ccccc14)Cc1[n]5ccc4ccccc14)(Cc1[n]2ccc2ccccc12)Cc1[n]3ccc2ccccc12)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.
• Authors of publication: Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9688 - 9698
• a: 14.3782 ± 0.0005 Å
• b: 16.4845 ± 0.0005 Å
• c: 19.2461 ± 0.0007 Å
• α: 90°
• β: 101.197 ± 0.0015°
• γ: 90°
• Cell volume: 4474.8 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No