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Information card for entry 1565985
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| Coordinates | 1565985.cif |
|---|---|
| Structure factors | 1565985.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II) |
|---|---|
| Formula | C22 H26 Cu N8 O4 |
| Calculated formula | C22 H26 Cu N8 O4 |
| SMILES | O=C(c1ccc(cc1)n1cncn1)O[Cu]([NH](C)C)([NH](C)C)OC(=O)c1ccc(cc1)n1cncn1 |
| Title of publication | Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II) |
| Authors of publication | Liu, Lin; Han, Zheng-Bo |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 1 |
| Pages of publication | x220046 |
| a | 6.3657 ± 0.0005 Å |
| b | 8.1428 ± 0.0007 Å |
| c | 12.1896 ± 0.0011 Å |
| α | 72.595 ± 0.002° |
| β | 89.376 ± 0.002° |
| γ | 87.805 ± 0.002° |
| Cell volume | 602.47 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272059 (current) | 2022-01-15 | cif/ hkl/ Adding structures of 1565985 via cif-deposit CGI script. |
1565985.cif 1565985.hkl |
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Users of the data should acknowledge the original authors of the
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