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Information card for entry 7223580
Preview
| Coordinates | 7223580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H72 N8 S8 |
|---|---|
| Calculated formula | C60 H72 N8 S8 |
| SMILES | c12c(c(cc(c1)C(C)(C)C)Sc1c(SCCn3nccc3)c(cc(c1)C(C)(C)C)Sc1c(c(cc(c1)C(C)(C)C)Sc1c(SCCn3nccc3)c(S2)cc(c1)C(C)(C)C)SCCn1nccc1)SCCn1nccc1 |
| Title of publication | Molecular tectonics: dimensionality and geometry control of silver coordination networks based on pyrazolyl appended thiacalixarenes |
| Authors of publication | Ovsyannikov, A. S.; Noamane, M. H.; Abidi, R.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 691 |
| a | 26.6378 ± 0.0006 Å |
| b | 12.7707 ± 0.0003 Å |
| c | 19.6019 ± 0.0004 Å |
| α | 90° |
| β | 115.002 ± 0.001° |
| γ | 90° |
| Cell volume | 6043.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7223580.cif |
| 175967 | 2016-02-05 | cif/ Updating files of 7223579, 7223580, 7223581, 7223582, 7223583, 7223584, 7223585, 7223586, 7223587, 7223588, 7223589 Original log message: Adding full bibliography for 7223579--7223589.cif. |
7223580.cif |
| 171669 | 2015-12-22 | cif/ Adding structures of 7223579, 7223580, 7223581, 7223582, 7223583, 7223584, 7223585, 7223586, 7223587, 7223588, 7223589 via cif-deposit CGI script. |
7223580.cif |
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Users of the data should acknowledge the original authors of the
structural data.