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Information card for entry 2109026
Preview
| Coordinates | 2109026.cif |
|---|---|
| Structure factors | 2109026.hkl |
| Original IUCr paper | HTML |
| Formula | C21 H18 N4 O2 Pb S |
|---|---|
| Calculated formula | C21 H18 N4 O2 Pb S |
| Title of publication | The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative |
| Authors of publication | Mahmoudi, Ghodrat; García-Santos, Isabel; Pittelkow, Michael; Kamounah, Fadhil S.; Zangrando, Ennio; Babashkina, Maria G.; Frontera, Antonio; Safin, Damir A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| Pages of publication | 685 - 694 |
| a | 7.9341 ± 0.0003 Å |
| b | 8.014 ± 0.0003 Å |
| c | 15.3431 ± 0.0006 Å |
| α | 90° |
| β | 91.259 ± 0.001° |
| γ | 90° |
| Cell volume | 975.34 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0157 |
| Residual factor for significantly intense reflections | 0.0146 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.0336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276974 (current) | 2022-07-28 | cif/ hkl/ Adding structures of 2109026 via cif-deposit CGI script. |
2109026.cif 2109026.hkl |
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Users of the data should acknowledge the original authors of the
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