Information card for entry 7219763

Structure parameters

• Formula: C79 H71 Cd5 Cl4 N12 O7.5
• Calculated formula: C79 H70 Cd5 Cl4 N12 O7.5
• SMILES: [n]12ccccc1C[N]1[Cd]3452[n]2ccccc2C[N]3=Cc2ccccc2[O]5[Cd]23([O]4c4c(C=1)cccc4)([O]1c4c(C=[N]5Cc6cccc[n]6[Cd]6715[n]1ccccc1C[N]6=Cc1ccccc1[O]27)cccc4)[O]1c2c(C=[N]4Cc5[n](cccc5)[Cd]5614[n]1ccccc1C[N]5=Cc1ccccc1[O]36)cccc2.O.OC.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Two Schiff base ligands for distiguishing ZnII/CdIIsensing — effect of substituent on fluorecent sensing
• Authors of publication: Zheng, Zhi-Peng; Wei, Qin; Yin, Wen-Xia; Wan, Lin-Tao; Huang, Xia; Yu, Ying; Cai, Prof. Yue-Peng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 20.1807 ± 0.001 Å
• b: 14.3707 ± 0.0007 Å
• c: 29.3758 ± 0.0012 Å
• α: 90°
• β: 111.272 ± 0.003°
• γ: 90°
• Cell volume: 7938.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.092
• 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