Information card for entry 2216235

Structure parameters

• Chemical name: {6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-\ 1κ^4^O^1^,O^1^',O^6^,O^6^':2κ^4^O^1^,N,N'O^1^'}trinitrato-1κ^6^O,O'-\ samarium(III)nickel(II)
• Formula: C20 H22 N5 Ni O13 Sm
• Calculated formula: C20 H22 N5 Ni O13 Sm
• SMILES: [Sm]123456([O]7[Ni]89[O]1c1c([O]3CC)cccc1C=[N]9CC[N]8=Cc1c7c([O]4CC)ccc1)(ON(=[O]2)=O)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: {μ-6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratosamarium(III)nickel(II)
• Authors of publication: Hu, Rong-Hua; Sui, Yan; Chen, Li; Xie, Guo-Wei; Ai, Yan-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3191 - m3192
• a: 8.6097 ± 0.0014 Å
• b: 13.75 ± 0.002 Å
• c: 21.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.4 ± 0.7 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: 0.1089
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes