Information card for entry 7023592

Structure parameters

• Formula: C39 H48 Cl3 N4 O21 Yb
• Calculated formula: C39 H48 Cl3 N4 O21 Yb
• SMILES: c12c3cccc1C=[NH+]CCC[NH+]=Cc1cccc4c1O[Yb]156(O2)([O]3C)([O]4C)(Oc2c(cccc2C=[NH+]CCC[NH+]=Cc2cccc(c2O5)[O]6C)[O]1C)[OH]C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.
• Authors of publication: Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13190 - 13199
• a: 13.373 ± 0.005 Å
• b: 14.457 ± 0.005 Å
• c: 14.548 ± 0.006 Å
• α: 61.97 ± 0.012°
• β: 71.04 ± 0.014°
• γ: 82 ± 0.012°
• Cell volume: 2347.7 ± 1.6 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: 0.0819
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No