Information card for entry 7221666

Structure parameters

• Formula: C42 H26 Er F9 N2 O6
• Calculated formula: C42 H26 Er F9 N2 O6
• SMILES: c1ccccc1C1=CC(C(F)(F)F)=[O][Er]234([n]5c6c(ccc7c6[n]2ccc7)ccc5)(OC(=CC(C(F)(F)F)=[O]3)c2ccccc2)(O1)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1
• Title of publication: NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes
• Authors of publication: Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.009 ± 0.005 Å
• b: 13.987 ± 0.005 Å
• c: 14.769 ± 0.005 Å
• α: 82.932 ± 0.005°
• β: 87.086 ± 0.005°
• γ: 76.531 ± 0.005°
• Cell volume: 1994.9 ± 1.4 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: 0.0496
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No