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Information card for entry 7244521
Preview
| Coordinates | 7244521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 Cd N4 O5 Pb S2 |
|---|---|
| Calculated formula | C21 H20 Cd N4 O5 Pb S2 |
| SMILES | [Pb]123(SC#N)[O]4[Cd]56([O]1c1c([O]3C)cccc1C=[N]6CC(O)C[N]5=Cc1c4c([O]2C)ccc1)N=C=S |
| Title of publication | Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation |
| Authors of publication | Majumdar, Dhrubajyoti; Frontera, A.; Gomila, Rosa M.; Das, Sourav; Bankura, Kalipada |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 6352 - 6363 |
| a | 9.813 ± 0.007 Å |
| b | 16.798 ± 0.012 Å |
| c | 15.066 ± 0.011 Å |
| α | 90° |
| β | 97.022 ± 0.009° |
| γ | 90° |
| Cell volume | 2465 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273153 (current) | 2022-02-25 | cif/ Adding structures of 7244521 via cif-deposit CGI script. |
7244521.cif |
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Users of the data should acknowledge the original authors of the
structural data.