Information card for entry 2214707

Structure parameters

• Chemical name: {6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-\ 1κ^4^<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6^,<i>O</i>^6'^:2κ^4^<i>O</i>^1^,\ <i>N</i>,<i>N</i>',<i>O</i>^1'^}trinitrato-1κ^6^<i>O</i>,<i>O</i>'-\ neodymium(III)copper(II))
• Formula: C20 H22 Cu N5 Nd O13
• Calculated formula: C20 H22 Cu N5 Nd O13
• SMILES: c12C=[N]3[Cu]45[O]6[Nd]789%10([O]4c4c([O]7CC)cccc4C=[N]5CC3)(ON(=O)=[O]8)(ON(=[O]9)=O)(ON(=O)=[O]%10)[O](c(c16)ccc2)CC
• Title of publication: {μ-6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratoneodymium(III)copper(II)
• Authors of publication: Sui, Yan; Fang, Xiao-Niu; Zhou, Xiao-Chun; Luo, Qiu-Yan; Xu, Ya-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2087 - m2088
• a: 8.6439 ± 0.0016 Å
• b: 13.861 ± 0.003 Å
• c: 21.135 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2532.2 ± 0.9 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: 0.0385
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes