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Information card for entry 7241733
Preview
| Coordinates | 7241733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 N24 O23 S2 Sr |
|---|---|
| Calculated formula | C46 H42 N24 O23 S2 Sr |
| SMILES | [Sr]1([O]=C2N3C4C5N2CN2C(=[O]1)N1C6C2N2CN5C(=O)N4CN4C5C7N(CN8C(=O)N9CN%10C(=O)N%11CN%12C(=O)N(C1)C1C%12N(C(=O)N1CN6C2=O)CN1C%11C%10N(C1=O)CN1C9C8N(C1=O)CN7C4=O)C(=O)N5C3)(OS(=O)(=O)c1ccc2ccc(S(=O)(=O)[O-])cc2c1)([OH2])([OH2])([OH2])([OH2])[OH2] |
| Title of publication | Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers |
| Authors of publication | Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 2 |
| Pages of publication | 465 - 481 |
| a | 12.604 ± 0.005 Å |
| b | 16.258 ± 0.005 Å |
| c | 31.463 ± 0.005 Å |
| α | 90° |
| β | 97.344 ± 0.005° |
| γ | 90° |
| Cell volume | 6394 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0908 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261625 (current) | 2021-02-05 | cif/ Updating files of 7241725, 7241726, 7241727, 7241728, 7241729, 7241730, 7241731, 7241732, 7241733 Original log message: Adding full bibliography for 7241725--7241733.cif. |
7241733.cif |
| 259729 | 2020-12-10 | cif/ Adding structures of 7241725, 7241726, 7241727, 7241728, 7241729, 7241730, 7241731, 7241732, 7241733 via cif-deposit CGI script. |
7241733.cif |
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