Information card for entry 7219761

Structure parameters

• Formula: C34 H42 Cd4 Cl6 N4 O6 S2
• Calculated formula: C34 H42 Cd4 Cl6 N4 O6 S2
• SMILES: [O](=S(C)C)[Cd]123([Cl][Cd]45(Cl)[n]6ccccc6C[N]4=Cc4cccc([O]2CC)c4[O]15)[Cl][Cd]12([O]4c5c(C=[N]6Cc7cccc[n]7[Cd]46(Cl)[Cl]2)cccc5[O]1CC)([O]=S(C)C)[Cl]3
• 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: 8.495 ± 0.004 Å
• b: 8.812 ± 0.005 Å
• c: 16.014 ± 0.008 Å
• α: 96.662 ± 0.007°
• β: 93.244 ± 0.006°
• γ: 106.658 ± 0.006°
• Cell volume: 1135.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2655
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No