Information card for entry 7025555

Structure parameters

• Formula: C82 H94 La2 N8 O28 S2
• Calculated formula: C82 H94 La2 N8 O28 S2
• SMILES: N(C=[O][La]123456([O]=C7O[La]89%10%11([O]=C(O3)c3c(OCC(NS(=O)(=O)c%12ccc(C)cc%12)(COc%12ccccc%12C(=[O]4)[O]69)COc4ccccc4C(=[O]%10)O%11)cccc3)([O]=C([O]58)c3c(OCC(COc4ccccc74)(NS(=O)(=O)c4ccc(C)cc4)COc4c(cccc4)C(=[O]1)O2)cccc3)([O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Synthesis, radii dependent self-assembly crystal structures and luminescent properties of rare earth (III) complexes with a tripodal salicylic derivative.
• Authors of publication: Wang, Ya-Wen; Zhang, Yan-Ling; Dou, Wei; Zhang, Ai-Jiang; Qin, Wen-Wu; Liu, Wei-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9013 - 9021
• a: 14.721 ± 0.003 Å
• b: 14.825 ± 0.003 Å
• c: 15.953 ± 0.003 Å
• α: 108.509 ± 0.007°
• β: 109.63 ± 0.008°
• γ: 91.613 ± 0.008°
• Cell volume: 3074 ± 1.1 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: 0.0594
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No