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Information card for entry 7028461
Preview
| Coordinates | 7028461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H34 N6 O5 Zn |
|---|---|
| Calculated formula | C37 H34 N6 O5 Zn |
| Title of publication | A new cyclic supramolecular Zn(ii) complex derived from a N2O2 oxime chelate ligand with luminescence mechanochromism. |
| Authors of publication | Zhang, Shou-Ting; Li, Tian-Rong; Wang, Bao-Dui; Yang, Zheng-Yin; Liu, Jian; Wang, Zhi-Yi; Dong, Wen-Kui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 7 |
| Pages of publication | 2713 - 2717 |
| a | 10.6014 ± 0.0008 Å |
| b | 10.6656 ± 0.0008 Å |
| c | 15.898 ± 0.002 Å |
| α | 104.972 ± 0.009° |
| β | 105 ± 0.009° |
| γ | 91.803 ± 0.006° |
| Cell volume | 1668.1 ± 0.3 Å3 |
| Cell temperature | 289.96 ± 0.1 K |
| Ambient diffraction temperature | 289.96 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028461.cif |
| 179990 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84. |
7028461.cif |
| 105324 | 2014-03-12 | cif/ Adding structures of 7028461 via cif-deposit CGI script. |
7028461.cif |
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Users of the data should acknowledge the original authors of the
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