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Information card for entry 7031839
Preview
| Coordinates | 7031839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 Cu2 N10 O6 S |
|---|---|
| Calculated formula | C24 H24 Cu2 N10 O6 S |
| Title of publication | Syntheses and structures of copper complexes of 3-(6-(1H-pyrazol-1-yl)pyridin-2-yl)pyrazol-1-ide and their excellent performance in the syntheses of nitriles and aldehydes. |
| Authors of publication | Tan, Da-Wei; Xie, Jing-Bo; Li, Qi; Li, Hong-Xi; Li, Jun-Chi; Li, Hai-Yan; Lang, Jian-Ping |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 14061 - 14071 |
| a | 10.6914 ± 0.0003 Å |
| b | 16.1312 ± 0.0003 Å |
| c | 15.999 ± 0.0003 Å |
| α | 90° |
| β | 103.456 ± 0.002° |
| γ | 90° |
| Cell volume | 2683.52 ± 0.11 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7031839.cif |
| 180024 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/18. |
7031839.cif |
| 123483 | 2014-09-08 | cif/ Updating files of 7031837, 7031838, 7031839, 7031840, 7031841 Original log message: Adding full bibliography for 7031837--7031841.cif. |
7031839.cif |
| 120984 | 2014-07-31 | cif/ Adding structures of 7031837, 7031838, 7031839, 7031840, 7031841 via cif-deposit CGI script. |
7031839.cif |
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Users of the data should acknowledge the original authors of the
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