Information card for entry 7153103

Structure parameters

• Formula: C76 H74 Br6 Gd2 N6 O26 S2
• Calculated formula: C76 H74 Br6 Gd2 N6 O26 S2
• 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: 12.838 ± 0.002 Å
• b: 12.867 ± 0.002 Å
• c: 16.039 ± 0.003 Å
• α: 76.149 ± 0.002°
• β: 87.85 ± 0.002°
• γ: 88.362 ± 0.002°
• Cell volume: 2570.1 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No