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Information card for entry 7017081
Preview
| Coordinates | 7017081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 N O S |
|---|---|
| Calculated formula | C13 H9 N O S |
| SMILES | S1N(C(=O)c2ccccc12)c1ccccc1 |
| Title of publication | Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B. |
| Authors of publication | Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 43 |
| Pages of publication | 11519 - 11529 |
| a | 5.8793 ± 0.0012 Å |
| b | 14.397 ± 0.003 Å |
| c | 12.316 ± 0.003 Å |
| α | 90° |
| β | 98.23 ± 0.03° |
| γ | 90° |
| Cell volume | 1031.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179874 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70. |
7017081.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017081.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017081.cif |
| 30046 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7017080, 7017081, 7017082, 7017083 via cif-deposit CGI script. |
7017081.cif |
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Users of the data should acknowledge the original authors of the
structural data.