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Information card for entry 2202483
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| Coordinates | 2202483.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C40 H28 Cu N2 O6 |
|---|---|
| Calculated formula | C40 H28 Cu N2 O6 |
| SMILES | C12C(c3ccccc3OC=1c1ccccc1)=[O][Cu]1([n]3ccccc3)(O2)([n]2ccccc2)OC2=C(Oc3c(C2=[O]1)cccc3)c1ccccc1 |
| Title of publication | <i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)copper(II) |
| Authors of publication | Okabe, Nobuo; Yamamoto, Emi; Yasunori, Muranishi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 9 |
| Pages of publication | m715 - m716 |
| a | 8.539 ± 0.002 Å |
| b | 10.029 ± 0.002 Å |
| c | 11.098 ± 0.002 Å |
| α | 114.7 ± 0.01° |
| β | 97.18 ± 0.02° |
| γ | 107 ± 0.01° |
| Cell volume | 791.6 ± 0.3 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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