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Information card for entry 7034559
Preview
| Coordinates | 7034559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 Cl2 N4 O0 Zn |
|---|---|
| Calculated formula | C21 H20 Cl2 N4 Zn |
| SMILES | [Zn]1([N]2=C(c3cccc[n]13)CC(C)(c1ccccn1)Nc1c2ccc(c1)C)(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 | 10.18 ± 0.002 Å |
| b | 13.936 ± 0.003 Å |
| c | 14.518 ± 0.003 Å |
| α | 90° |
| β | 91.28 ± 0.03° |
| γ | 90° |
| Cell volume | 2059.1 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2347 |
| Residual factor for significantly intense reflections | 0.1329 |
| Weighted residual factors for significantly intense reflections | 0.2445 |
| Weighted residual factors for all reflections included in the refinement | 0.2914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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. |
7034559.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. |
7034559.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. |
7034559.cif |
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