Information card for entry 1545047

Structure parameters

• Formula: C55 H25 Co D18 F8 N4 O9 P3 Yb
• Calculated formula: C55 H25 Co D18 F8 N4 O9 P3 Yb
• SMILES: [Yb]12345(n6c7=C(c8[n]2c(=C(c2ccccc2)c2n4c(C(=c4[n]3c(c(F)c4F)C(=c6c(F)c7F)c3ccccc3)c3ccccc3)c(F)c2F)c(F)c8F)c2ccccc2)O[P]([Co]2346([P](O1)(OC([2H])([2H])[2H])OC([2H])([2H])[2H])([P](OC([2H])([2H])[2H])(OC([2H])([2H])[2H])O5)[cH]1[cH]4[cH]3[cH]2[cH]61)(OC([2H])([2H])[2H])OC([2H])([2H])[2H]
• Title of publication: Highly near-IR emissive ytterbium(iii) complexes with unprecedented quantum yields
• Authors of publication: Hu, Ji-Yun; Ning, Yingying; Meng, Yin-Shan; Zhang, Jing; Wu, Zhuo-Yan; Gao, Song; Zhang, Jun-Long
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2702
• a: 12.2948 ± 0.0003 Å
• b: 14.0793 ± 0.0003 Å
• c: 16.6204 ± 0.0004 Å
• α: 72.8693 ± 0.0019°
• β: 73.873 ± 0.002°
• γ: 77.72 ± 0.002°
• Cell volume: 2614.22 ± 0.11 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No