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Information card for entry 7053229
Preview
| Coordinates | 7053229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H29 N3 O6 S2 Zn |
|---|---|
| Calculated formula | C35 H29 N3 O6 S2 Zn |
| SMILES | c12c3cc(c4ccccc4)cc4[n]3[Zn]([n]1cccc2)(OS(=O)(=O)c1ccc(cc1)C)([n]1ccccc41)OS(=O)(=O)c1ccc(cc1)C |
| Title of publication | Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds |
| Authors of publication | Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 5 |
| Pages of publication | 1529 |
| a | 20.389 ± 0.004 Å |
| b | 13.924 ± 0.003 Å |
| c | 12.196 ± 0.002 Å |
| α | 90° |
| β | 113.21 ± 0.03° |
| γ | 90° |
| Cell volume | 3182.2 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053229.cif |
| 180086 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32. |
7053229.cif |
| 90698 | 2013-11-18 | cif/ Adding structures of 7053228, 7053229, 7053230, 7053231, 7053232, 7053233 via cif-deposit CGI script. |
7053229.cif |
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Users of the data should acknowledge the original authors of the
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