Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343698
Preview
| Coordinates | 4343698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 N6 O2 S4 Zn2 |
|---|---|
| Calculated formula | C46 H42 N6 O2 S4 Zn2 |
| SMILES | c12ccccc1C=[N]1c3cccc(c3)[N]3=Cc4c(S[Zn]53[N](=Cc3c(cccc3)S5)c3cccc([N]5[Zn]1(S2)Sc1ccccc1C=5)c3)cccc4.N(C=O)(C)C.N(C=O)(C)C |
| Title of publication | Reversible Formation and Transmetalation of Schiff-Base Complexes in Subcomponent Self-Assembly Reactions. |
| Authors of publication | Lewing, Dennis; Koppetz, Hannah; Hahn, F. Ekkehardt |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 7653 - 7659 |
| a | 10.2801 ± 0.0003 Å |
| b | 15.3096 ± 0.0004 Å |
| c | 14.2761 ± 0.0004 Å |
| α | 90° |
| β | 101.907 ± 0.002° |
| γ | 90° |
| Cell volume | 2198.49 ± 0.11 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.919 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343698.cif |
| 152806 | 2015-08-05 | cif/ Updating files of 4343698, 4343699, 4343700, 4343701 Original log message: Adding full bibliography for 4343698--4343701.cif. |
4343698.cif |
| 146542 | 2015-07-12 | cif/ Adding structures of 4343698, 4343699, 4343700, 4343701 via cif-deposit CGI script. |
4343698.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.