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Information card for entry 4107351
Preview
| Coordinates | 4107351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H14.5 Cl2 N4 O9 Pb |
|---|---|
| Calculated formula | C22 H14.5 Cl2 N4 O9 Pb |
| SMILES | [Pb]123([OH2])(OCl(=O)(=O)=O)[n]4ccccc4c4[n]1c1c(cc4)ccc4c1[n]2c(cc4)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Enhanced Metal Ion Selectivity of 2,9-Di-(pyrid-2-yl)-1,10-phenanthroline and Its Use as a Fluorescent Sensor for Cadmium(II) |
| Authors of publication | Gregory M. Cockrell; Gang Zhang; Donald G. VanDerveer; Randolph P. Thummel; Robert D. Hancock |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 1420 - 1430 |
| a | 15.715 ± 0.003 Å |
| b | 11.425 ± 0.002 Å |
| c | 27.309 ± 0.006 Å |
| α | 90° |
| β | 104.72 ± 0.03° |
| γ | 90° |
| Cell volume | 4742.2 ± 1.7 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4107351.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107351.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107351.cif |
| 55016 | 2012-05-02 | cif/ Adding structures of 4107351 via cif-deposit CGI script. |
4107351.cif |
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Users of the data should acknowledge the original authors of the
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