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Information card for entry 7205599
Preview
| Coordinates | 7205599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H32 Cl2 N4 O8 S8 Zn |
|---|---|
| Calculated formula | C36 H32 Cl2 N4 O8 S8 Zn |
| SMILES | [Zn]12([n]3cccc4c3c3c(ccc[n]13)C4=C1SC(=C(S1)SCC)SCC)([n]1cccc3c1c1c(ccc[n]21)C3=C1SC(=C(S1)SCC)SCC)(OCl(=O)(=O)=O)OCl(=O)(=O)=O |
| Title of publication | Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties |
| Authors of publication | Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 2521 |
| a | 9.982 ± 0.005 Å |
| b | 14.264 ± 0.006 Å |
| c | 14.747 ± 0.007 Å |
| α | 90° |
| β | 101.191 ± 0.007° |
| γ | 90° |
| Cell volume | 2059.8 ± 1.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1106 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.153 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205599.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7205599.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205599.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205599.cif |
| 20970 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205595, 7205596, 7205597, 7205598, 7205599 via cif-deposit CGI script. |
7205599.cif |
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