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Information card for entry 2019825
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| Coordinates | 2019825.cif |
|---|---|
| Structure factors | 2019825.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-methoxy(pyridin-2-yl)methanolato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]bis[chloridocopper(II)] |
|---|---|
| Formula | C14 H16 Cl2 Cu2 N2 O4 |
| Calculated formula | C14 H16 Cl2 Cu2 N2 O4 |
| SMILES | c1cccc2C(=[O]3[Cu]([n]12)([O]1=C(c2cccc[n]2[Cu]31Cl)OC)Cl)OC |
| Title of publication | Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)] |
| Authors of publication | Boonlue, Sujirat; Sirikulkajorn, Anchalee; Chainok, Kittipong |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | m44 |
| a | 10.5568 ± 0.0014 Å |
| b | 4.0728 ± 0.0006 Å |
| c | 19.257 ± 0.003 Å |
| α | 90° |
| β | 95.28 ± 0.003° |
| γ | 90° |
| Cell volume | 824.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019825.cif 2019825.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019825.cif 2019825.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019825.cif 2019825.hkl |
| 130250 | 2015-02-01 | cif/ hkl/ Adding structures of 2019825 via cif-deposit CGI script. |
2019825.cif 2019825.hkl |
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Users of the data should acknowledge the original authors of the
structural data.