Information card for entry 4509556

Structure parameters

• Formula: C60 H70 Cu3 N7 Na O17
• Calculated formula: C60 H70 Cu3 N7 Na O17
• SMILES: [Cu]123[O]4[Na]56([O](CC)c7c([O]15)c(C=[N]3CC[N]2=Cc1cccc(c14)[O]6CC)ccc7)([OH2])[OH2].[Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.[Cu]123Oc4c(OCC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OCC.O=N(=O)[O-]
• Title of publication: Cocrystallized Dinuclear−Mononuclear CuII3NaIand Double-Decker−Triple-Decker CuII5KI3Complexes Derived fromN,N′-Ethylenebis(3-ethoxysalicylaldimine)
• Authors of publication: Hazra, Susanta; Koner, Rajesh; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 3603
• a: 12.1509 ± 0.0013 Å
• b: 15.284 ± 0.002 Å
• c: 17.597 ± 0.002 Å
• α: 87.531 ± 0.009°
• β: 83.906 ± 0.007°
• γ: 69.005 ± 0.006°
• Cell volume: 3033.8 ± 0.6 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: 0.0697
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No