Information card for entry 7153104

Structure parameters

• Formula: C76 H74 Br6 N6 O26 S2 Tb2
• Calculated formula: C76 H74 Br6 N6 O26 S2 Tb2
• SMILES: c1(ccc(cc1)S(=O)(=O)NC12COc3ccc(Br)cc3C3=[O][Tb]4567([O]=C(O4)c4c(OC1)ccc(Br)c4)([O]1C(=[O][Tb]4891(O3)([O]=C(O5)c1c(OCC(NS(=O)(=O)c3ccc(C)cc3)(COc3ccc(Br)cc3C(=[O]4)O8)COc3ccc(Br)cc3C(=[O]6)[O]79)ccc(Br)c1)([O]=CN(C)C)[O]=CN(C)C)c1c(OC2)ccc(Br)c1)([O]=CN(C)C)[O]=CN(C)C)C
• Title of publication: Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.
• Authors of publication: Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 40
• Pages of publication: 6960 - 6966
• a: 12.818 ± 0.002 Å
• b: 12.868 ± 0.002 Å
• c: 16.038 ± 0.003 Å
• α: 76.169 ± 0.002°
• β: 87.766 ± 0.002°
• γ: 88.385 ± 0.002°
• Cell volume: 2566.2 ± 0.7 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: 0.0674
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No