Information card for entry 7221668

Structure parameters

• Formula: C48 H28 Er F9 N4 O6
• Calculated formula: C48 H28 Er F9 N4 O6
• SMILES: [Er]1234([O]=C(C=C(O1)C(F)(F)F)c1ccccc1)([n]1c5c6[n]2cccc6c2nc6c(nc2c5ccc1)cccc6)(OC(=CC(=[O]3)c1ccccc1)C(F)(F)F)OC(=CC(=[O]4)c1ccccc1)C(F)(F)F
• 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: 28.129 ± 0.005 Å
• b: 28.129 ± 0.005 Å
• c: 11.62 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9194 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No