Information card for entry 2241838

Structure parameters

• Chemical name: (Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III)
• Formula: C27 H24 Cl3 N4 O3 Yb
• Calculated formula: C27 H24 Cl3 N4 O3 Yb
• SMILES: [Yb]123456Oc7c(C=[N]4CC[N]3(CC[N]5=Cc3cc(Cl)ccc3O1)CC[N]6=Cc1cc(Cl)ccc1O2)cc(Cl)cc7
• Title of publication: (Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III): crystal structure and Hirshfeld surface analysis
• Authors of publication: Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 10
• Pages of publication: 1390 - 1395
• a: 10.0452 ± 0.0002 Å
• b: 13.151 ± 0.0002 Å
• c: 21.0926 ± 0.0004 Å
• α: 90°
• β: 101.221 ± 0.001°
• γ: 90°
• Cell volume: 2733.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes