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Information card for entry 2243753
Preview
| Coordinates | 2243753.cif |
|---|---|
| Structure factors | 2243753.hkl |
| Original IUCr paper | HTML |
| Common name | (bpy)Cu(2-(hydroxymethyl)tartronate) |
|---|---|
| Chemical name | [(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-hydroxy-2-(hydroxymethyl-κ<i>O</i>)propanedioato-κ^2^<i>O</i>^1^,<i>O</i>^3^]copper(II)] |
| Formula | C14 H12 Cu N2 O6 |
| Calculated formula | C14 H12 Cu N2 O6 |
| SMILES | [Cu]123([n]4c(c5[n]3cccc5)cccc4)OC(=O)C(O)(C(=O)O2)C[OH]1 |
| Title of publication | A copper complex of an unusual hydroxy‒carboxylate ligand: [Cu(bpy)(C~4~H~4~O~6~)] |
| Authors of publication | Gao, Sen; Fronczek, Frank R.; Maverick, Andrew W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 3 |
| Pages of publication | 282 - 285 |
| a | 7.6516 ± 0.0005 Å |
| b | 9.9272 ± 0.0006 Å |
| c | 10.0722 ± 0.0006 Å |
| α | 95.204 ± 0.004° |
| β | 107.729 ± 0.004° |
| γ | 111.462 ± 0.004° |
| Cell volume | 660.34 ± 0.08 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 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 all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262111 (current) | 2021-02-20 | cif/ hkl/ Adding structures of 2243753 via cif-deposit CGI script. |
2243753.cif 2243753.hkl |
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Users of the data should acknowledge the original authors of the
structural data.