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Information card for entry 7039697
Preview
| Coordinates | 7039697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H30 Cu6 N12 S6 |
|---|---|
| Calculated formula | C30 H30 Cu6 N12 S6 |
| Title of publication | Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions. |
| Authors of publication | Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 29 |
| Pages of publication | 11883 - 11891 |
| a | 22.1787 ± 0.0008 Å |
| b | 11.5351 ± 0.0003 Å |
| c | 18.4943 ± 0.0006 Å |
| α | 90° |
| β | 114.62 ± 0.002° |
| γ | 90° |
| Cell volume | 4301.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0624 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039697.cif |
| 185482 | 2016-08-07 | cif/ Updating files of 7039697, 7039698, 7039699 Original log message: Adding full bibliography for 7039697--7039699.cif. |
7039697.cif |
| 184003 | 2016-06-28 | cif/ Adding structures of 7039697, 7039698, 7039699 via cif-deposit CGI script. |
7039697.cif |
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Users of the data should acknowledge the original authors of the
structural data.