Information card for entry 7153102

Structure parameters

• Formula: C76 H74 Br6 Eu2 N6 O26 S2
• Calculated formula: C76 H74 Br6 Eu2 N6 O26 S2
• SMILES: N(C=[O][Eu]123456([O]=C(O1)c1cc(Br)ccc1OCC1(COc7ccc(Br)cc7C(O2)=[O][Eu]2789([O]=C(O3)c3c(OCC(NS(=O)(=O)c%10ccc(C)cc%10)(COc%10ccc(Br)cc%10C(=[O]2)O7)COc2ccc(Br)cc2C(=[O]4)[O]69)ccc(Br)c3)([O]=C(c2c(OC1)ccc(Br)c2)[O]58)([O]=CN(C)C)[O]=CN(C)C)NS(=O)(=O)c1ccc(C)cc1)[O]=CN(C)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: 12.839 ± 0.004 Å
• b: 12.86 ± 0.004 Å
• c: 16.021 ± 0.005 Å
• α: 76.149 ± 0.004°
• β: 87.883 ± 0.004°
• γ: 88.339 ± 0.004°
• Cell volume: 2566 ± 1.4 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: 0.1028
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No