Information card for entry 7221665

Structure parameters

• Formula: C40 H26 Er F9 N2 O6
• Calculated formula: C40 H26 Er F9 N2 O6
• SMILES: [Er]1234([O]=C(C=C(O1)c1ccccc1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)C(F)(F)F)[n]1ccccc1c1[n]4cccc1
• 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: 11.116 ± 0.005 Å
• b: 22.589 ± 0.005 Å
• c: 17.17 ± 0.005 Å
• α: 90°
• β: 114.87 ± 0.019°
• γ: 90°
• Cell volume: 3912 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No