Information card for entry 2213464

Structure parameters

• Chemical name: Tetrakis{μ~3~-1-[(2-oxidoethyl)iminomethyl]-2-naphtholato}tetracopper(II)
• Formula: C52 H44 Cu4 N4 O8
• Calculated formula: C52 H44 Cu4 N4 O8
• SMILES: [O]123[Cu]45([N](CC1)=Cc1c(O4)ccc4c1cccc4)[O]14CC[N]6[Cu]21(Oc1c(C=6)c2c(cc1)cccc2)[O]12CC[N]6=Cc7c(ccc8c7cccc8)O[Cu]316[O]15CC[N]3=Cc5c(ccc6c5cccc6)O[Cu]4213
• Title of publication: Tetrakis{μ~3~-1-[(2-oxidoethyl)iminomethyl]-2-naphtholato}tetracopper(II)
• Authors of publication: Jian-Fang Dong; Lian-Zhi Li; Tao Xu; Hui Cui; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1501 - m1502
• a: 21.628 ± 0.005 Å
• b: 21.628 ± 0.005 Å
• c: 9.858 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4611 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes