Information card for entry 1562588

Structure parameters

• Formula: C16 H54 N12 O2 Se6 Sn2 Yb2
• Calculated formula: C16 H54 N12 O2 Se6 Sn2 Yb2
• SMILES: C1C[NH]2CC[NH2][Yb]3452([NH2]1)([NH2]CC[NH]3CC[NH2]4)[OH][Yb]1234([NH2]CC[NH]1CC[NH2]2)([NH2]CC[NH]3CC[NH2]4)[OH]5.[Se-][Sn]1([Se][Sn]([Se-])([Se-])[Se]1)[Se-]
• Title of publication: Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates
• Authors of publication: Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 204
• Pages of publication: 70 - 77
• a: 12.0262 ± 0.001 Å
• b: 11.6659 ± 0.001 Å
• c: 13.8189 ± 0.0013 Å
• α: 90°
• β: 98.971 ± 0.003°
• γ: 90°
• Cell volume: 1915 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No