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Information card for entry 2312022
Preview
| Coordinates | 2312022.cif |
|---|---|
| Structure factors | 2312022.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Dimethylaminopyridinium dimethylammonium tetrachloridolead(II) |
|---|---|
| Formula | C9 H19 Cl4 N3 Pb |
| Calculated formula | C9 H19 Cl4 N3 Pb |
| SMILES | C[NH2+]C.c1cc(N(C)C)cc[nH+]1.C[NH2+]C.c1cc(N(C)C)cc[nH+]1.[Pb]1(Cl)(Cl)[Cl][Pb](Cl)(Cl)([Cl]1)(Cl)Cl |
| Title of publication | Hybrid organic-inorganic crystal structure of 4-(di-methyl-amino)-pyridinium di-methyl-ammonium tetra-chlorido-lead(II). |
| Authors of publication | Benson, Cassidy A.; Bateman, Gage; Cox, Jordan M.; Benedict, Jason B. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 11 |
| Pages of publication | 1670 - 1673 |
| a | 11.0965 ± 0.0011 Å |
| b | 19.12 ± 0.002 Å |
| c | 7.5453 ± 0.0008 Å |
| α | 90° |
| β | 91.0813 ± 0.0019° |
| γ | 90° |
| Cell volume | 1600.6 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0136 |
| Residual factor for significantly intense reflections | 0.013 |
| Weighted residual factors for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections included in the refinement | 0.0335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246251 (current) | 2019-12-27 | cif/ hkl/ Adding structures of 2312022 via cif-deposit CGI script. |
2312022.cif 2312022.hkl |
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Users of the data should acknowledge the original authors of the
structural data.