Information card for entry 2214243

Structure parameters

• Chemical name: {6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- 1κ^2^O^1^,O^1'^,O^6^,O^6'^:2κ^2^O^1^,N,N',O^1'^}trinitrato-1κ^O,O'- samarium(III)copper(II)
• Formula: C20 H22 Cu N5 O13 Sm
• Calculated formula: C20 H22 Cu N5 O13 Sm
• SMILES: [Sm]123456([O]7[Cu]89[N](=Cc%10c7c([O]1CC)ccc%10)CC[N]9=Cc1c(c([O]4CC)ccc1)[O]38)(ON(=O)=[O]2)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: {6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratosamarium(III)copper(II)
• Authors of publication: Sui, Yan; He, De-Yong; Fang, Xiao-Niu; Chen, Li; Peng, Jia-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2013 - m2014
• a: 8.6208 ± 0.0008 Å
• b: 13.8333 ± 0.0013 Å
• c: 21.151 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes