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Information card for entry 1513595
Preview
| Coordinates | 1513595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H34 Cd2 Cl2 N12 O10 |
|---|---|
| Calculated formula | C38 H34 Cd2 Cl2 N12 O10 |
| SMILES | [Cd]12345[O]6[Cd]789([O]1c1c(C=[N]5Nc5[n]4cccc5)cc(cc1C=[N]8Nc1[n]7cccc1)C)[n]1ccccc1N[N]9=Cc1cc(cc(C=[N]3Nc3[n]2cccc3)c61)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | A novel 2,6-diformyl-4-methylphenol based chemosensor for Zn(II) ions by ratiometric displacement of Cd(II) ions and its application for cell imaging on human melanoma cancer cells. |
| Authors of publication | Jana, Atanu; Sukul, Pradip K.; Mandal, Sushil K.; Konar, Saugata; Ray, Sangita; Das, Kinsuk; Golen, James A.; Rheingold, Arnold L.; Mondal, Sudipa; Mondal, Tapan K.; Khuda-Bukhsh, Anisur R; Kar, Susanta K. |
| Journal of publication | The Analyst |
| Year of publication | 2014 |
| Journal volume | 139 |
| Journal issue | 2 |
| Pages of publication | 495 - 504 |
| a | 23.0762 ± 0.0015 Å |
| b | 12.6124 ± 0.0006 Å |
| c | 17.5274 ± 0.0013 Å |
| α | 90° |
| β | 116.601 ± 0.001° |
| γ | 90° |
| Cell volume | 4561.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513595.cif |
| 105077 | 2014-03-11 | cif/ Adding structures of 1513595 via cif-deposit CGI script. |
1513595.cif |
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Users of the data should acknowledge the original authors of the
structural data.