Information card for entry 2006229

Structure parameters

• Chemical name: (4-Ethylpyridine)(N-salicylideneglycinato)copper(II) Tetramer
• Formula: C64 H64 Cu4 N8 O12
• Calculated formula: C64 H64 Cu4 N8 O12
• SMILES: c12ccccc2C=[N]2CC3=[O][Cu]45([N](=Cc6c(cccc6)O4)CC(=[O][Cu]46(Oc7ccccc7C=[N]4CC(=[O][Cu]47([N](=Cc8c(cccc8)O4)CC(=[O][Cu]2(O1)([n]1ccc(cc1)CC)O3)O7)[n]1ccc(cc1)CC)O6)[n]1ccc(cc1)CC)O5)[n]1ccc(cc1)CC
• Title of publication: A (4-Ethylpyridine)(<i>N</i>-salicylideneglycinato)copper(II) Tetramer
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 697 - 699
• a: 28.663 ± 0.0007 Å
• b: 28.663 ± 0.0007 Å
• c: 7.25719 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5962.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.1225
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No