Information card for entry 7221664

Structure parameters

• Formula: C30 H22 Er F9 O8
• Calculated formula: C30 H22 Er F9 O8
• SMILES: C(C1=CC(c2ccccc2)=[O][Er]23([OH2])([OH2])([O]=C(C(F)(F)F)C=C(c4ccccc4)O2)(O1)OC(=CC(C(F)(F)F)=[O]3)c1ccccc1)(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: 10.697 ± 0.005 Å
• b: 13.011 ± 0.005 Å
• c: 22.764 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3168 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No