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Information card for entry 2244229
Preview
| Coordinates | 2244229.cif |
|---|---|
| Structure factors | 2244229.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H20 Cl4 N4 O Zn |
|---|---|
| Calculated formula | C12 H20 Cl4 N4 O Zn |
| SMILES | c1(c(ccc[nH+]1)C)N.c1(c(ccc[nH+]1)C)N.[Zn](Cl)(Cl)([Cl-])[Cl-].O |
| Title of publication | Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands. |
| Authors of publication | Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 272 - 279 |
| a | 6.9541 ± 0.0008 Å |
| b | 8.7092 ± 0.0009 Å |
| c | 16.293 ± 0.003 Å |
| α | 83.239 ± 0.011° |
| β | 80.167 ± 0.01° |
| γ | 72.049 ± 0.009° |
| Cell volume | 922.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283587 (current) | 2023-05-06 | cif/ Updating files of 2244225, 2244226, 2244227, 2244228, 2244229 Original log message: Adding full bibliography for 2244225--2244229.cif. |
2244229.cif 2244229.hkl |
| 281862 | 2023-03-14 | cif/ hkl/ Adding structures of 2244225, 2244226, 2244227, 2244228, 2244229 via cif-deposit CGI script. |
2244229.cif 2244229.hkl |
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Users of the data should acknowledge the original authors of the
structural data.