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Information card for entry 7028667
Preview
| Coordinates | 7028667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H101 B2 Cu4 N15 O P4 S8 W2 |
|---|---|
| Calculated formula | C88 H101 B2 Cu4 N15 O P4 S8 W2 |
| Title of publication | Six [Tp*WS3Cu2]-based clusters derived from [Et4N][Tp*WS3], Cu(i) salts and phosphine ligands: syntheses, structures and enhanced third-order NLO properties. |
| Authors of publication | Zhou, Li-Kuan; Liu, Quan; Zhao, Xin; Hu, Fei-Long; Liu, Shu-Chen; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 12 |
| Pages of publication | 4734 - 4744 |
| a | 10.3725 ± 0.0006 Å |
| b | 15.9248 ± 0.0008 Å |
| c | 16.9548 ± 0.0008 Å |
| α | 77.783 ± 0.004° |
| β | 79.692 ± 0.004° |
| γ | 79.364 ± 0.004° |
| Cell volume | 2661.5 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| 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 |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028667.cif |
| 179992 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/86. |
7028667.cif |
| 105390 | 2014-03-12 | cif/ Adding structures of 7028666, 7028667, 7028668, 7028669, 7028670, 7028671 via cif-deposit CGI script. |
7028667.cif |
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Users of the data should acknowledge the original authors of the
structural data.