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Information card for entry 7045793
Preview
| Coordinates | 7045793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H13 N3 O S |
|---|---|
| Calculated formula | C11 H13 N3 O S |
| Title of publication | Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation. |
| Authors of publication | Tarai, Arup; Baruah, Jubaraj B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 14 |
| Pages of publication | 4921 - 4930 |
| a | 5.9381 ± 0.0005 Å |
| b | 6.2676 ± 0.0006 Å |
| c | 17.4543 ± 0.0017 Å |
| α | 99.804 ± 0.008° |
| β | 91.409 ± 0.007° |
| γ | 109.424 ± 0.008° |
| Cell volume | 601.38 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0655 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7045793.cif |
| 229764 | 2019-11-17 | cif/ Updating files of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 Original log message: Adding full bibliography for 7045785--7045793.cif. |
7045793.cif |
| 206824 | 2018-03-08 | cif/ Adding structures of 7045785, 7045786, 7045787, 7045788, 7045789, 7045790, 7045791, 7045792, 7045793 via cif-deposit CGI script. |
7045793.cif |
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Users of the data should acknowledge the original authors of the
structural data.