Information card for entry 4305898

Structure parameters

• Formula: C114 H110 N22 O37 Tb2
• Calculated formula: C114 H110 N22 O37 Tb2
• SMILES: n1c(CNC2=[O][Tb]345([O]=N(=O)O3)([O]=N(=O)O4)([OH2])([O]=C(NCc3ncccc3)c3c(OCC(COc4c(C(NCc6ncccc6)=[O][Tb]678([O]=C(NCc9ncccc9)c9c(OCC(COc%10c2cccc%10)(COc2c(cccc2)C(=O)NCc2ncccc2)COc2c(C(=O)NCc%10ncccc%10)cccc2)cccc9)([O]=N(=O)O6)([O]=N(=O)O7)(ON(=[O]8)=O)[OH2])cccc4)(COc2c(C(=O)NCc4ncccc4)cccc2)COc2c(C(=O)NCc4ncccc4)cccc2)cccc3)ON(=[O]5)=O)cccc1.O
• Title of publication: Synthesis, Structures, and Luminescence Properties of Lanthanide Complexes with Structurally Related New Tetrapodal Ligands Featuring Salicylamide Pendant Arms
• Authors of publication: Xueqin Song; Xiaoyan Zhou; Weisheng Liu; Wei Dou; Jingxin Ma; Xiaoliang Tang; Jiangrong Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11501 - 11513
• a: 31.413 ± 0.007 Å
• b: 16.467 ± 0.004 Å
• c: 26.825 ± 0.006 Å
• α: 90°
• β: 114.973 ± 0.004°
• γ: 90°
• Cell volume: 12579 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No