Information card for entry 2204286

Structure parameters

• Formula: C48 H36 Cu2 N4 O12
• Calculated formula: C48 H36 Cu2 N4 O12
• SMILES: c12c3cccc[n]3[Cu]34([n]2cccc1)OC(=O)c1c([O]3[Cu]23([n]5c(c6cccc[n]26)cccc5)OC(=O)c2c([O]43)cccc2)cccc1.O=C(O)c1c(O)cccc1.O=C(O)c1c(O)cccc1
• Title of publication: Di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] bis(salicylic acid)
• Authors of publication: Wang, Yue; Okabe, Nobuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1434 - m1436
• a: 10.46 ± 0.01 Å
• b: 17.79 ± 0.02 Å
• c: 12.04 ± 0.01 Å
• α: 90°
• β: 109.25 ± 0.04°
• γ: 90°
• Cell volume: 2115 ± 4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes