Information card for entry 2210066

Structure parameters

• Chemical name: Diaqua{6,6'-dimethoxy-2,2'-[1,2- ethanediylbis(nitrilomethylidyne)]diphenolato}dinitratosamarium(III)copper(II) nitrate
• Formula: C18 H22 Cu N5 O15 Sm
• Calculated formula: C18 H22 Cu N5 O15 Sm
• SMILES: [Sm]12345([O]6[Cu]78[O]1c1c([O]2C)cccc1C=[N]7CC[N]8=Cc1c6c([O]3C)ccc1)(ON(=[O]4)=O)([OH2])([OH2])ON(=O)=[O]5.N(=O)(=O)[O-]
• Title of publication: A new dinuclear Cu^II^‒Sm^III^ complex with a salen-type Schiff base ligand
• Authors of publication: Sui, Yan; Fang, Xiao-Niu; Xiao, Yi-An; Luo, Qiu-Yan; Li, Meng-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2230 - m2232
• a: 9.1526 ± 0.0003 Å
• b: 21.6121 ± 0.0007 Å
• c: 13.4409 ± 0.0004 Å
• α: 90°
• β: 108.196 ± 0.001°
• γ: 90°
• Cell volume: 2525.75 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes