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Information card for entry 7034098
Preview
| Coordinates | 7034098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SB-27 |
|---|---|
| Formula | C56 H47 Br Cl Cu N4 P2 S |
| Calculated formula | C56 H47 Br Cl Cu N4 P2 S |
| SMILES | c1(ccc(cc1)Cl)NC(N/N=C/c1cccc2ccccc12)=[S][Cu](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(#N)C |
| Title of publication | Synthesis, X-ray structure and in vitro cytotoxicity studies of Cu(I/II) complexes of thiosemicarbazone: Special emphasis on their interactions with DNA |
| Authors of publication | Bhakat, Saswati; Chakraborty, Ayon; Dash, Subhashree Priyadarsini; Panda, Alok K.; Acharyya, Rama; Biswas, Ashis; Mukhopadhyay, Subhadip; Bhutia, Sujit; Crochet, Aurelien; Patil, Yogesh prakash; Nethaji, Munirathinam; Dinda, Rupam |
| Journal of publication | Dalton Trans. |
| Year of publication | 2015 |
| a | 9.4984 ± 0.0004 Å |
| b | 13.1221 ± 0.0005 Å |
| c | 20.6583 ± 0.0009 Å |
| α | 100.185 ± 0.003° |
| β | 95.359 ± 0.003° |
| γ | 96.502 ± 0.003° |
| Cell volume | 2500.96 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| 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. |
7034098.cif |
| 132044 | 2015-02-19 | cif/ Adding structures of 7034097, 7034098, 7034099, 7034100 via cif-deposit CGI script. |
7034098.cif |
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