Information card for entry 7048138

Structure parameters

• Formula: C52 H40 Cl4 F4 N4 Na O16 Tb
• Calculated formula: C52 H40 Cl4 F4 N4 Na O16 Tb
• SMILES: C1(=O)c2c(=[O][Tb]345(OC(=[O])c6c(=[O]3)c3c(n(c6)C6CC6)cc(Cl)c(c3)F)(OC(=O)c3c(=[O]5)c5c(n(c3)C3CC3)cc(c(F)c5)Cl)(O1)OC(=O)c1c(=[O]4)c3c(n(c1)C1CC1)cc(c(F)c3)Cl)c1c(cc(c(F)c1)Cl)n(c2)C1CC1.[Na+].O.O.O.O
• Title of publication: Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.
• Authors of publication: Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17432 - 17440
• a: 10.0564 ± 0.0002 Å
• b: 12.7324 ± 0.0004 Å
• c: 22.0394 ± 0.0007 Å
• α: 73.58 ± 0.003°
• β: 85.371 ± 0.002°
• γ: 72.185 ± 0.002°
• Cell volume: 2577.03 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No