Information card for entry 7000822

Structure parameters

• Formula: C57 H32 Er F15 N2 O6
• Calculated formula: C57 H32 Er F15 N2 O6
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Er]245([n]13)(OC(=CC(c1ccc3ccccc3c1)=[O]2)C(C(F)(F)F)(F)F)([O]=C(C(C(F)(F)F)(F)F)C=C(c1cc2c(cc1)cccc2)O4)OC(=CC(c1ccc2c(c1)cccc2)=[O]5)C(C(F)(F)F)(F)F
• Title of publication: Near-infrared luminescent xerogel materials covalently bonded with ternary lanthanide [Er(III), Nd(III), Yb(III), Sm(III)] complexes
• Authors of publication: Feng, Jing; Yu, Jiang-Bo; Song, Shu-Yan; Sun, Li-Ning; Fan, Wei-Qiang; Guo, Xian-Min; Dang, Song; Zhang, Hong-Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2406 - 2414
• a: 12.222 ± 0.005 Å
• b: 20.08 ± 0.005 Å
• c: 21.842 ± 0.005 Å
• α: 89.163 ± 0.005°
• β: 83.064 ± 0.005°
• γ: 84.338 ± 0.005°
• Cell volume: 5295 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2589
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No