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Information card for entry 7058993
Preview
| Coordinates | 7058993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H16 N4 S8 |
|---|---|
| Calculated formula | C26 H16 N4 S8 |
| Title of publication | Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities |
| Authors of publication | Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 14291 |
| a | 5.575 ± 0.0002 Å |
| b | 10.0695 ± 0.0005 Å |
| c | 12.6027 ± 0.0006 Å |
| α | 102.074 ± 0.002° |
| β | 91.263 ± 0.002° |
| γ | 93.737 ± 0.002° |
| Cell volume | 689.9 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058993.cif |
| 223417 | 2019-11-06 | cif/ Adding structures of 7058993, 7058994, 7058995, 7058996, 7058997, 7058998, 7058999, 7059000, 7059001 via cif-deposit CGI script. |
7058993.cif |
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Users of the data should acknowledge the original authors of the
structural data.