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Information card for entry 7226387
Preview
| Coordinates | 7226387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 Cd N5 O S2 |
|---|---|
| Calculated formula | C21 H15 Cd N5 O S2 |
| Title of publication | Cadmium (II) supramolecular complexes constructed from phenylbenzoxazole-based ligand: self-assembly, structural features and nonlinear optical properties |
| Authors of publication | Zhang, Na; Liu, Dan; Zhang, Huihui; Yu, Jianhua; Wu, Zhichao; Zhu, Qiyong; zhou, Hongping |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.313 ± 0.005 Å |
| b | 27.927 ± 0.005 Å |
| c | 9.63 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 110.883 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2088.8 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186061 (current) | 2016-08-27 | cif/ Adding structures of 7226384, 7226385, 7226386, 7226387 via cif-deposit CGI script. |
7226387.cif |
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Users of the data should acknowledge the original authors of the
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