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Information card for entry 4338254
Preview
| Coordinates | 4338254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H36 Cu N2 O10 |
|---|---|
| Calculated formula | C38 H36 Cu N2 O10 |
| SMILES | c1(cc(cc(c1)C(=O)OCC)C(=O)OCC)[N]1=Cc2c(O[Cu]31[N](=Cc1c(O3)cccc1)c1cc(cc(c1)C(=O)OCC)C(=O)OCC)cccc2 |
| Title of publication | A Schiff Base and Its Copper(II) Complex as a Highly Selective Chemodosimeter for Mercury(II) Involving Preferential Hydrolysis of Aldimine over an Ester Group. |
| Authors of publication | Kumar, Ashish; Dubey, Mrigendra; Pandey, Rampal; Gupta, Rakesh Kumar; Kumar, Amit; Kalita, Alok Ch; Pandey, Daya Shankar |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 4944 - 4955 |
| a | 14.87 ± 0.01 Å |
| b | 7.459 ± 0.006 Å |
| c | 14.326 ± 0.009 Å |
| α | 90° |
| β | 90.468 ± 0.011° |
| γ | 90° |
| Cell volume | 1588.9 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0881 |
| Weighted residual factors for significantly intense reflections | 0.2255 |
| Weighted residual factors for all reflections included in the refinement | 0.2355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338254.cif |
| 179485 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338254.cif |
| 115688 | 2014-06-05 | cif/ Updating files of 4338253, 4338254 Original log message: Adding full bibliography for 4338253--4338254.cif. |
4338254.cif |
| 112033 | 2014-04-29 | cif/ Adding structures of 4338253, 4338254 via cif-deposit CGI script. |
4338254.cif |
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