Information card for entry 7221667

Structure parameters

• Formula: C44 H26 Er F9 N4 O6
• Calculated formula: C44 H26 Er F9 N4 O6
• SMILES: C1(=CC(C(F)(F)F)=[O][Er]234([n]5cccc6c5c5c(ccc[n]25)c2c6nccn2)(O1)(OC(=CC(c1ccccc1)=[O]3)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]4)c1ccccc1)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: 21.392 ± 0.005 Å
• b: 10.941 ± 0.005 Å
• c: 18.213 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4263 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No