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Information card for entry 7015487
Preview
| Coordinates | 7015487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 Cl Cu N4 O2 S |
|---|---|
| Calculated formula | C18 H17 Cl Cu N4 O2 S |
| SMILES | [Cu]12([N](=Cc3c(=[O]2)[nH]c2c(c3)cccc2)N=C(S1)Nc1ccccc1)Cl.CO |
| Title of publication | Effect of terminal N-substitution in 2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the mode of coordination, structure, interaction with protein, radical scavenging and cytotoxic activity of copper(II) complexes. |
| Authors of publication | Raja, Duraisamy Senthil; Paramaguru, Ganesan; Bhuvanesh, Nattamai S. P.; Reibenspies, Joseph H.; Renganathan, Rajalingam; Natarajan, Karuppannan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4548 - 4559 |
| a | 8.447 ± 0.003 Å |
| b | 16.895 ± 0.006 Å |
| c | 13.235 ± 0.005 Å |
| α | 90° |
| β | 100.997 ± 0.004° |
| γ | 90° |
| Cell volume | 1854.1 ± 1.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179858 (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 7/01/54. |
7015487.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015487.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015487.cif |
| 21168 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015484, 7015485, 7015486, 7015487 via cif-deposit CGI script. |
7015487.cif |
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