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Information card for entry 7034077
Preview
| Coordinates | 7034077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 N2 O2 S |
|---|---|
| Calculated formula | C12 H8 N2 O2 S |
| SMILES | s1cc(nc1N)c1c(=O)oc2ccccc2c1 |
| Title of publication | A new selective chromogenic and turn-on fluorogenic probe for copper(ii) in solution and vero cells: recognition of sulphide by [CuL]. |
| Authors of publication | Mahapatra, Ajit Kumar; Mondal, Sanchita; Manna, Saikat Kumar; Maiti, Kalipada; Maji, Rajkishor; Uddin, Md Raihan; Mandal, Sukhendu; Sarkar, Deblina; Mondal, Tapan Kumar; Maiti, Dilip Kumar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 14 |
| Pages of publication | 6490 - 6501 |
| a | 4.8213 ± 0.0004 Å |
| b | 14.2939 ± 0.0012 Å |
| c | 15.8175 ± 0.0014 Å |
| α | 90° |
| β | 93.892 ± 0.0018° |
| γ | 90° |
| Cell volume | 1087.55 ± 0.16 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 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 7/03/40. |
7034077.cif |
| 135030 | 2015-04-06 | cif/ Updating files of 7034077 Original log message: Adding full bibliography for 7034077.cif. |
7034077.cif |
| 131968 | 2015-02-18 | cif/ Adding structures of 7034077 via cif-deposit CGI script. |
7034077.cif |
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Users of the data should acknowledge the original authors of the
structural data.