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Information card for entry 7708554
Preview
| Coordinates | 7708554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H34 N2 O12 Pd |
|---|---|
| Calculated formula | C24 H34 N2 O12 Pd |
| SMILES | [Pd]123OC4=C(Oc5c(C4=O)cccc5)C[N]2(CC[N]3(CC2Oc3c(C(=O)C=2O1)cccc3)C)C.O.O.O.O.O.O |
| Title of publication | A selective fluorescent probe for GadoliniumIII in water based on a PdII -preorganized chromone-receptor |
| Authors of publication | Paderni, Daniele; Giorgi , Luca; Macedi, Eleonora; Formica, Mauro; Paoli, Paola; Rossi, Patrizia; Fusi, Vieri |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 13.899 ± 0.0005 Å |
| b | 9.2755 ± 0.0005 Å |
| c | 20.2093 ± 0.0019 Å |
| α | 90° |
| β | 100.88 ± 0.005° |
| γ | 90° |
| Cell volume | 2558.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0926 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269927 (current) | 2021-10-14 | cif/ Adding structures of 7708554 via cif-deposit CGI script. |
7708554.cif |
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Users of the data should acknowledge the original authors of the
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