Information card for entry 4306304

Structure parameters

• Formula: C34.66667 H51.33333 Cl2 N2 O8.66667 Tb2
• Calculated formula: C34.6667 H51.3333 Cl2 N2 O8.66667 Tb2
• SMILES: CC1=CC(C)=[N]2[Tb]34(O1)([O](CC[O]3C)C)([O](c1c2cc(cc1)C)[Tb]123([N](=C(C=C(C)O1)C)c1c(ccc(c1)C)[O]42)([O](CC[O]3C)C)Cl)Cl.C1CCCO1
• Title of publication: Synthesis, Reactivity, and Characterization of Sodium and Rare-Earth Metal Complexes Bearing a Dianionic N-Aryloxo-Functionalized β-Ketoiminate Ligand
• Authors of publication: Hongmei Peng; Zhenqin Zhang; Ruipeng Qi; Yingming Yao; Yong Zhang; Qi Shen; Yanxiang Cheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9828 - 9835
• a: 13.1389 ± 0.0011 Å
• b: 15.0689 ± 0.0012 Å
• c: 31.425 ± 0.003 Å
• α: 90°
• β: 97.889 ± 0.002°
• γ: 90°
• Cell volume: 6162.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No