Information card for entry 7212815

Structure parameters

• Formula: C62 H70 Cu3 N9 Na O14
• Calculated formula: C62 H70 Cu3 N9 Na O14
• SMILES: c1(cccc2c1O[Cu]13[N](=C2)CC[N]3=Cc2c(O1)c(OCC)ccc2)OCC.O(CC)c1c2O[Cu]34Oc5c(C=[N]3CC[N]4=Cc2ccc1)cccc5OCC.[N]12=Cc3cccc4[O](CC)[Na]56([OH2])([O](c34)[Cu]32[N](=Cc2c([O]53)c([O]6CC)ccc2)CC1)[OH2].N#CN=C=[N-]
• Title of publication: Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)
• Authors of publication: Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4131
• a: 12.0391 ± 0.0003 Å
• b: 16.6189 ± 0.0003 Å
• c: 16.6213 ± 0.0003 Å
• α: 86.908 ± 0.002°
• β: 69.87 ± 0.002°
• γ: 82.251 ± 0.002°
• Cell volume: 3093.78 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No