Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034558
Preview
| Coordinates | 7034558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 Cl2 N4 O0 Zn |
|---|---|
| Calculated formula | C20 H18 Cl2 N4 Zn |
| SMILES | [Zn]1([N]2=C(c3cccc[n]13)CC(C)(c1ccccn1)Nc1c2cccc1)(Cl)Cl |
| Title of publication | Facile luminescent tuning of Zn(II)/Hg(II) complexes based on flexible, semi-rigid and rigid polydentate Schiff bases from blue to green to red: structural, photophysics, electrochemistry and theoretical calculations studies. |
| Authors of publication | Wang, Xin-Ming; Chen, Shuo; Fan, Rui-Qing; Zhang, Fu-Qiang; Yang, Yu-Lin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 17 |
| Pages of publication | 8107 - 8125 |
| a | 13.404 ± 0.003 Å |
| b | 15.715 ± 0.003 Å |
| c | 19.102 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4023.7 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1074 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1811 |
| Weighted residual factors for all reflections included in the refinement | 0.2155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.846 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180051 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/45. |
7034558.cif |
| 138748 | 2015-06-07 | cif/ Updating files of 7034551, 7034552, 7034553, 7034554, 7034555, 7034556, 7034557, 7034558, 7034559, 7034560, 7034561, 7034562 Original log message: Adding full bibliography for 7034551--7034562.cif. |
7034558.cif |
| 134313 | 2015-03-24 | cif/ Adding structures of 7034551, 7034552, 7034553, 7034554, 7034555, 7034556, 7034557, 7034558, 7034559, 7034560, 7034561, 7034562 via cif-deposit CGI script. |
7034558.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.