Information card for entry 4330300

Structure parameters

• Formula: C50 H50 Cl8 N10 O8 Zn2
• Calculated formula: C50 H46 Cl8 N10 O8 Zn2
• SMILES: [Zn]1(Cl)(Cl)[n]2c(c3c(nc4c(cc5OCCOCCOc6cc7nc8c(nc7cc6OCCOCCOc5c4)c4[n]([Zn](Cl)(Cl)[n]5ccccc85)cccc4)n3)c3[n]1cccc3)cccc2.ClCCl.ClCCl.N#CC.CC#N.O.O
• Title of publication: Ratiometric and Selective Fluorescent Sensor for Zn2+ as an "Off-On-Off" Switch and Logic Gate
• Authors of publication: Ya-Ping Li; Hua-Rong Yang; Qiang Zhao; Wei-Chao Song; Jie Han; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9642 - 9648
• a: 11.916 ± 0.006 Å
• b: 12.247 ± 0.007 Å
• c: 22.673 ± 0.011 Å
• α: 97.909 ± 0.004°
• β: 91.418 ± 0.008°
• γ: 112.819 ± 0.009°
• Cell volume: 3010 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No