Information card for entry 4512667

Structure parameters

• Formula: C82 H92 N6 O26 S2 Tb2
• Calculated formula: C82 H92 N6 O26 S2 Tb2
• SMILES: N(C=[O][Tb]123456([O]=C(c7ccc(cc7OCC7(COc8cc(ccc8C(O2)=[O][Tb]289%10([O]=C(O3)c3c(OCC(NS(=O)(=O)c%11ccc(C)cc%11)(COc%11cc(ccc%11C(=[O]4)[O]68)C)COc4cc(ccc4C(=[O]9)O%10)C)cc(cc3)C)([O]=C([O]52)c2c(OC7)cc(cc2)C)([O]=CN(C)C)[O]=CN(C)C)C)NS(=O)(=O)c2ccc(C)cc2)C)O1)[O]=CN(C)C)(C)C
• Title of publication: A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.
• Authors of publication: Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4415 - 4422
• a: 13.066 ± 0.009 Å
• b: 13.642 ± 0.009 Å
• c: 16.025 ± 0.011 Å
• α: 82.01 ± 0.007°
• β: 85.328 ± 0.007°
• γ: 79.875 ± 0.007°
• Cell volume: 2780 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No