Information card for entry 2214247

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^2^O,O'- yttrium(III)nickel(II)
• Formula: C20 H22 N5 Ni O13 Y
• Calculated formula: C20 H22 N5 Ni O13 Y
• SMILES: [Y]123456([O]7[Ni]89[O]2c2c([O]4CC)cccc2C=[N]9CC[N]8=Cc2c7c([O]1CC)ccc2)(ON(=[O]3)=O)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: {6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratoyttrium(III)nickel(II)
• Authors of publication: Sui, Yan; Huang, Qiang; Hu, Rong-Hua; Xie, Guo-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2015 - m2016
• a: 8.5837 ± 0.001 Å
• b: 13.7547 ± 0.0016 Å
• c: 21.153 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.5 ± 0.5 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: 0.0402
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes