Information card for entry 7212816

Structure parameters

• Formula: C60 H70 Cu3 Mg N8 O22
• Calculated formula: C60 H70 Cu3 Mg N8 O22
• SMILES: [Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.[Cu]123[O]4[Mg]56([OH2])([O](CC)c7c4c(C=[N]3CC[N]1=Cc1cccc(c1[O]26)[O]5CC)ccc7)([OH2])[OH2].[Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.O=N(=O)[O-].O=N(=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: 12.7379 ± 0.0014 Å
• b: 15.5892 ± 0.0019 Å
• c: 16.265 ± 0.002 Å
• α: 85.814 ± 0.01°
• β: 73.4 ± 0.01°
• γ: 85.944 ± 0.009°
• Cell volume: 3082.7 ± 0.7 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: 0.0925
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No