Information card for entry 7219760

Structure parameters

• Formula: C45 H44 Cl5 N6 O6 Zn4
• Calculated formula: C45 H44 Cl5 N6 O6 Zn4
• SMILES: [Zn]1234[O]5[Zn]67([Cl][Zn](Cl)(Cl)[O]4c4c([C@H]8[N]3(Cc3cccc[n]13)[C@H]([NH]1[Zn](Cl)(Cl)[n]3c([C@H]81)cccc3)c1c([O]27)c(OCC)ccc1)cccc4OCC)[N](=Cc1c5c(ccc1)OCC)Cc1cccc[n]61.[Zn]1234[O]5[Zn]67([Cl][Zn](Cl)(Cl)[O]4c4c([C@@H]8[N]3(Cc3cccc[n]13)[C@@H]([NH]1[Zn](Cl)(Cl)[n]3c([C@@H]81)cccc3)c1c([O]27)c(OCC)ccc1)cccc4OCC)[N](=Cc1c5c(ccc1)OCC)Cc1cccc[n]61
• 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: 12.2973 ± 0.0012 Å
• b: 13.6411 ± 0.0013 Å
• c: 15.1641 ± 0.0015 Å
• α: 90.433 ± 0.001°
• β: 91.711 ± 0.001°
• γ: 92.506 ± 0.001°
• Cell volume: 2540.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.058
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.511
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No