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Information card for entry 7248134
Preview
| Coordinates | 7248134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 N7 Pb S3 |
|---|---|
| Calculated formula | C9 H9 N7 Pb S3 |
| Title of publication | On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives |
| Authors of publication | Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 11 |
| Pages of publication | 1637 - 1646 |
| a | 7.8039 ± 0.0004 Å |
| b | 11.1545 ± 0.0007 Å |
| c | 33.709 ± 0.002 Å |
| α | 90° |
| β | 90.944 ± 0.002° |
| γ | 90° |
| Cell volume | 2933.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0337 |
| Weighted residual factors for all reflections included in the refinement | 0.0351 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290896 (current) | 2024-04-05 | cif/ Updating files of 7248133, 7248134, 7248135 Original log message: Adding full bibliography for 7248133--7248135.cif. |
7248134.cif |
| 289808 | 2024-02-14 | cif/ Adding structures of 7248133, 7248134, 7248135 via cif-deposit CGI script. |
7248134.cif |
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Users of the data should acknowledge the original authors of the
structural data.