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Information card for entry 7152049
Preview
| Coordinates | 7152049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 Cu N6 O8 |
|---|---|
| Calculated formula | C24 H22 Cu N6 O8 |
| SMILES | [Cu]123([OH]c4c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)c1c(cc4)cc(cc1)C#N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Mononuclear Zn(ii)- and Cu(ii)-complexes of a hydroxynaphthalene-derived dipicolylamine: fluorescent sensing behaviours toward pyrophosphate ions. |
| Authors of publication | Roy, Basab; Rao, Alla Sreenivasa; Ahn, Kyo Han |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 22 |
| Pages of publication | 7774 - 7779 |
| a | 8.096 ± 0.001 Å |
| b | 8.215 ± 0.001 Å |
| c | 18.205 ± 0.002 Å |
| α | 84.374 ± 0.006° |
| β | 81.515 ± 0.005° |
| γ | 79.197 ± 0.005° |
| Cell volume | 1173.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152049.cif |
| 180306 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/20. |
7152049.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152049.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152049.cif |
| 30120 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7152049 via cif-deposit CGI script. |
7152049.cif |
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Users of the data should acknowledge the original authors of the
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