Information card for entry 1517146

Structure parameters

• Formula: C112 H116 N14 O40 S8 Sm2
• Calculated formula: C112 H116 N14 O40 S8 Sm2
• SMILES: [Sm]1234([O]=C(NCc5sccc5)c5c(OCC(COc6c(cccc6)C(=O)NCc6sccc6)(COc6ccccc6C(=[O][Sm]678([O]=C(NCc9sccc9)c9c(OCC(COc%10c(cccc%10)C(=O)NCc%10sccc%10)(COc%10c(cccc%10)C(=[O]4)NCc4sccc4)COc4c(cccc4)C(=O)NCc4sccc4)cccc9)(OC)([O]=N(=O)O6)(ON(=[O]7)=O)[O]=N(=O)O8)NCc4sccc4)COc4c(cccc4)C(=O)NCc4sccc4)cccc5)(OC)([O]=N(=O)O1)(ON(=[O]2)=O)[O]=N(=O)O3.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: 13.0091 ± 0.0014 Å
• b: 15.2063 ± 0.0016 Å
• c: 18.295 ± 0.003 Å
• α: 99.79 ± 0.003°
• β: 103.072 ± 0.003°
• γ: 115.19 ± 0.002°
• Cell volume: 3041 ± 0.7 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: 0.0735
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No