Information card for entry 7054679

Structure parameters

• Formula: C61 H49 F9 N9 O8 Yb Zn
• Calculated formula: C61 H44 F9 N9 O8 Yb Zn
• SMILES: c12ccccc1C=[N]1[C@H]3CCCC[C@@H]3[N]3=Cc4ccccc4[O]4[Zn]13([n]1ccccc1)[O]2[Yb]1234(Oc4c(c(C)nn4c4ccccc4)C(C(F)(F)F)=[O]1)(Oc1c(c(C)nn1c1ccccc1)C(C(F)(F)F)=[O]2)Oc1c(c(C)nn1c1ccccc1)C(C(F)(F)F)=[O]3.c12ccccc1C=[N]1[C@@H]3CCCC[C@H]3[N]3=Cc4ccccc4[O]4[Zn]13([n]1ccccc1)[O]2[Yb]1234(Oc4c(c(C)nn4c4ccccc4)C(C(F)(F)F)=[O]1)(Oc1c(c(C)nn1c1ccccc1)C(C(F)(F)F)=[O]2)Oc1c(c(C)nn1c1ccccc1)C(C(F)(F)F)=[O]3
• Title of publication: PMMA-supported hybrid materials doped with highly near-infrared (NIR) luminescent complexes [Zn(L1)(Py)Ln(L2)3] (Ln = Nd, Yb or Er)
• Authors of publication: Yu, Chao; Zhang, Zhao; Liu, Lin; Li, Hongyan; He, Yani; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3698
• a: 23.852 ± 0.003 Å
• b: 13.2551 ± 0.0017 Å
• c: 41.053 ± 0.006 Å
• α: 90°
• β: 104.55 ± 0.002°
• γ: 90°
• Cell volume: 12563 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No