Information card for entry 7212814

Structure parameters

• Formula: C60 H70 Cl Cu3 Li N6 O18
• Calculated formula: C60 H70 Cl Cu3 Li N6 O18
• SMILES: [Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.[Cu]123[O]4c5c6[O](CC)[Li]74([OH2])([O]1c1c([O]7CC)cccc1C=[N]3CC[N]2=Cc5ccc6)[OH2].[Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.Cl(=O)(=O)(=O)[O-]
• 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: 12.1205 ± 0.0004 Å
• b: 15.552 ± 0.0005 Å
• c: 17.3547 ± 0.0006 Å
• α: 85.886 ± 0.003°
• β: 71.153 ± 0.003°
• γ: 78.266 ± 0.003°
• Cell volume: 3031.17 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No