Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4349592
Preview
| Coordinates | 4349592.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H11 N7 O Pb |
|---|---|
| Calculated formula | C13 H11 N7 O Pb |
| SMILES | [Pb]12(OC(=N[N]1=C(C)c1[n]2cccc1)c1cnccc1)N=N#N |
| Title of publication | Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings |
| Authors of publication | Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 171 |
| a | 7.4765 ± 0.0003 Å |
| b | 9.8748 ± 0.0005 Å |
| c | 10.3866 ± 0.0009 Å |
| α | 85.982 ± 0.006° |
| β | 77.23 ± 0.007° |
| γ | 71.633 ± 0.006° |
| Cell volume | 709.77 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0263 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234906 (current) | 2019-11-23 | cif/ Adding structures of 4349592, 4349593, 4349594, 4349595, 4349596, 4349597, 4349598 via cif-deposit CGI script. |
4349592.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.