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Information card for entry 4328443
Preview
| Coordinates | 4328443.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H18 F6 N6 O6 S2 |
|---|---|
| Calculated formula | C26 H18 F6 N6 O6 S2 |
| SMILES | c1cccc(c2nc(c3ccccn23)c2c3ccccn3c(c3cccc[nH+]3)n2)[nH+]1.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-] |
| Title of publication | Triple-Stranded Helicates of Zinc(II) and Cadmium(II) Involving a New Redox-Active Multiring Nitrogenous Heterocyclic Ligand: Synthesis, Structure, and Electrochemical and Photophysical Properties |
| Authors of publication | Nabanita Kundu; Sk Md Towsif Abtab; Sanchita Kundu; Akira Endo; Simon J. Teat; Muktimoy Chaudhury |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 2652 - 2661 |
| a | 5.3667 ± 0.0008 Å |
| b | 17.057 ± 0.003 Å |
| c | 15.106 ± 0.002 Å |
| α | 90° |
| β | 98.553 ± 0.006° |
| γ | 90° |
| Cell volume | 1367.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.2158 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.2087 |
| Weighted residual factors for all reflections included in the refinement | 0.2752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4328443.cif |
| 179387 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84. |
4328443.cif |
| 77409 | 2013-03-26 | cif/ Adding structures of 4328443 via cif-deposit CGI script. |
4328443.cif |
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Users of the data should acknowledge the original authors of the
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