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Information card for entry 7120385
Preview
| Coordinates | 7120385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H276 K30 Mo68 N4 Na2 O310 S68 Se26 |
|---|---|
| Calculated formula | C38.4 K27 Mo68 N1.6 Na2 O309.5 S68 Se26 |
| Title of publication | Exploring Structural Complexity in the Discovery and Self-Assembly of a Family of Nanoscale Chalcoxides from {Se8Mo36} to {Se26Mo68} |
| Authors of publication | Cronin, Lee; Zang, Hong-Ying; Purcell, Jamie; Long, Deliang; Miras, Haralampos N. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 20.3775 ± 0.0007 Å |
| b | 21.0899 ± 0.0007 Å |
| c | 30.3195 ± 0.0012 Å |
| α | 102.22 ± 0.002° |
| β | 100.029 ± 0.002° |
| γ | 95.818 ± 0.002° |
| Cell volume | 12410.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1331 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.2122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198494 (current) | 2017-07-06 | cif/ Adding structures of 7120383, 7120384, 7120385, 7120386, 7120387 via cif-deposit CGI script. |
7120385.cif |
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Users of the data should acknowledge the original authors of the
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