Information card for entry 7118857

Structure parameters

• Formula: C25 H29 N5 Na O12 Yb
• Calculated formula: C25 H29 N5 Na O12 Yb
• SMILES: [Yb]12345([N]6=Cc7c8c(ccc7)[O]([Na]79([O]38)([O]4c3c(C=[N]2Cc2cccc(C6)[n]12)cccc3[O]7C)[O]=N(=O)O9)C)(ON(=[O]5)=O)[OH]C.CO
• Title of publication: K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(iii) complex crystallites.
• Authors of publication: Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5124 - 5127
• a: 10.5784 ± 0.0006 Å
• b: 17.3413 ± 0.001 Å
• c: 16.6413 ± 0.0009 Å
• α: 90°
• β: 104.996 ± 0.003°
• γ: 90°
• Cell volume: 2948.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No