Information card for entry 1562209

Structure parameters

• Formula: C18 H18 Cu3 N18 Na2 O6
• Calculated formula: C18 H18 Cu3 N18 Na2 O6
• SMILES: [Cu]12([O]=Cc3c(O2)c(OCC)ccc3)[O]=Cc2c(O1)c(OCC)ccc2.[Cu]1(N=N#N)(N=N#N)[N](=N#N)[Cu](N=N#N)(N=N#N)[N]1(=N#N).[Na+].[Na+]
• Title of publication: Room temperature syntheses, crystal structures and properties of two new heterometallic polymers based on 3-ethoxy-2-hydroxybenzaldehyde ligand
• Authors of publication: Zhang, Shu-Hua; Zhao, Ru-Xiao; Li, Gui; Zhang, Hai-Yang; Huang, Qiu-Ping; Liang, Fu-Pei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2014
• Journal volume: 220
• Pages of publication: 206 - 212
• a: 9.1976 ± 0.0018 Å
• b: 9.39 ± 0.002 Å
• c: 10.64 ± 0.002 Å
• α: 64.87 ± 0.02°
• β: 69.441 ± 0.019°
• γ: 65.634 ± 0.019°
• Cell volume: 740.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1634
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No