Information card for entry 1517147

Structure parameters

• Formula: C112 H120 N14 O40 S8 Tb2
• Calculated formula: C112 H120 N14 O40 S8 Tb2
• SMILES: [Tb]1234([O]=C(NCc5sccc5)c5c(OCC(COc6c(C(=[O][Tb]789([O]=C(NCc%10sccc%10)c%10c(OCC(COc%11c(C(=[O]1)NCc1sccc1)cccc%11)(COc1c(C(=O)NCc%11sccc%11)cccc1)COc1c(C(=O)NCc%11sccc%11)cccc1)cccc%10)([O]=N(=O)O7)([O]=N(=O)O8)(ON(=[O]9)=O)[OH]C)NCc1sccc1)cccc6)(COc1ccccc1C(=O)NCc1sccc1)COc1c(C(=O)NCc6sccc6)cccc1)cccc5)([O]=N(=O)O2)([O]=N(=O)O3)(ON(=[O]4)=O)[OH]C.OC.OC.OC.OC
• Title of publication: Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand
• Authors of publication: Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 156 - 164
• a: 13.0156 ± 0.0009 Å
• b: 15.1935 ± 0.001 Å
• c: 18.3354 ± 0.0019 Å
• α: 99.67 ± 0.002°
• β: 103.178 ± 0.002°
• γ: 115.173 ± 0.001°
• Cell volume: 3047.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No