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Information card for entry 8102673
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| Coordinates | 8102673.cif |
|---|---|
| External links | PubChem |
| Chemical name | aqua-(2,2'-bipyridine-k2N, N')-bis((2,4-dichlorophenoxy- aceticato-kO)copper(II), Cu(H2O)(C10H8N2)(C8H5Cl2O3)2 |
|---|---|
| Formula | C26 H20 Cl4 Cu N2 O7 |
| Calculated formula | C26 H20 Cl4 Cu N2 O7 |
| SMILES | [Cu]1(OC(=O)COc2c(Cl)cc(Cl)cc2)(OC(=O)COc2ccc(Cl)cc2Cl)([OH2])[n]2ccccc2c2[n]1cccc2 |
| Title of publication | Crystal structure of aqua(2,2'-bipyridine-k2N,N')-bis((2,4-dichlorophenoxyacetato-kO)copper(II), Cu(H2O)(C10H8N2)(C8H5Cl2O3)2 |
| Authors of publication | Ying-Qun Yang; Chang-Hong Li; Wei Li; Yun-Fei Kuang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 255 |
| a | 39.686 ± 0.008 Å |
| b | 7.1543 ± 0.0014 Å |
| c | 19.578 ± 0.004 Å |
| α | 90° |
| β | 102.46 ± 0.03° |
| γ | 90° |
| Cell volume | 5428 ± 2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102673.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102673.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102673.cif |
| 13412 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102673 via cif-deposit CGI script. |
8102673.cif |
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