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Information card for entry 7241741
Preview
| Coordinates | 7241741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H52 Cd4 O22 S4 |
|---|---|
| Calculated formula | C72 H52 Cd4 O22 S4 |
| Title of publication | A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand |
| Authors of publication | Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 4 |
| Pages of publication | 824 - 830 |
| a | 14.329 ± 0.0009 Å |
| b | 5.8217 ± 0.0004 Å |
| c | 18.5725 ± 0.0012 Å |
| α | 90° |
| β | 93.903 ± 0.002° |
| γ | 90° |
| Cell volume | 1545.71 ± 0.18 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261609 (current) | 2021-02-05 | cif/ Updating files of 7241741 Original log message: Adding full bibliography for 7241741.cif. |
7241741.cif |
| 259732 | 2020-12-10 | cif/ Adding structures of 7241741 via cif-deposit CGI script. |
7241741.cif |
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Users of the data should acknowledge the original authors of the
structural data.