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Information card for entry 2204286
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| Coordinates | 2204286.cif |
|---|---|
| Structure factors | 2204286.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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