Information card for entry 7021453

Structure parameters

• Formula: C72 H84 Cl4 N14 O28 Yb2
• Calculated formula: C72 H84 Cl4 N14 O28 Yb2
• SMILES: c12ccccc1/C=[NH+]/CCC/[NH+]=C/c1ccccc1O[Yb]134(ON(=[O]1)=O)(Oc1ccccc1/C=[NH+]/CCC/[NH+]=C/c1ccccc1O[Yb]156(ON(=[O]1)=O)(O2)(Oc1ccccc1/C=[NH+]/CCC/N=C/c1c(O)cccc1)([O]=N(=O)O6)ON(=O)=[O]5)(Oc1ccccc1/C=[NH+]/CCC/N=C/c1ccccc1O)([O]=N(=O)O4)ON(=O)=[O]3.C(Cl)Cl.OC.C(Cl)Cl.CO
• Title of publication: Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.
• Authors of publication: Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9482 - 9489
• a: 10.963 ± 0.002 Å
• b: 10.998 ± 0.002 Å
• c: 18.653 ± 0.004 Å
• α: 92 ± 0.03°
• β: 106.7 ± 0.03°
• γ: 92.49 ± 0.03°
• Cell volume: 2149.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No