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Information card for entry 7059039
Preview
| Coordinates | 7059039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H31 N5 O3 S |
|---|---|
| Calculated formula | C39 H31 N5 O3 S |
| Title of publication | Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach |
| Authors of publication | Yadav, Neetu; Singh, Ashok Kumar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 8 |
| Pages of publication | 6023 |
| a | 10.0344 ± 0.0004 Å |
| b | 8.1177 ± 0.0003 Å |
| c | 20.1951 ± 0.0008 Å |
| α | 90° |
| β | 97.782 ± 0.002° |
| γ | 90° |
| Cell volume | 1629.87 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1766 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.794 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059039.cif |
| 288219 | 2023-12-11 | cif/ Removed several misspelt data names since the same space group information is already provided using proper data names. |
7059039.cif |
| 227887 | 2019-11-15 | cif/ Adding structures of 7059039, 7059040 via cif-deposit CGI script. |
7059039.cif |
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Users of the data should acknowledge the original authors of the
structural data.