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Information card for entry 4129949
Preview
| Coordinates | 4129949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C102 H164 Cu18 F6 O12 S2 |
|---|---|
| Calculated formula | C102 H164 Cu18 F6 O12 S2 |
| Title of publication | Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters. |
| Authors of publication | Zhang, Li-Min; Mak, Thomas C. W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 9 |
| Pages of publication | 2909 - 2912 |
| a | 14.6845 ± 0.001 Å |
| b | 19.5028 ± 0.0012 Å |
| c | 21.5607 ± 0.0014 Å |
| α | 90° |
| β | 91.957 ± 0.004° |
| γ | 90° |
| Cell volume | 6171.1 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4129949.cif |
| 240568 | 2019-11-25 | cif/ Adding structures of 4129948, 4129949, 4129950, 4129951 via cif-deposit CGI script. |
4129949.cif |
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Users of the data should acknowledge the original authors of the
structural data.