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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1513595.html
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Users of the data should acknowledge the original authors of the
structural data.