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Information card for entry 7120387
Preview
| Coordinates | 7120387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H240 K15 Mo36 N5 O194 S32 Se8 |
|---|---|
| Calculated formula | C39.5 K14.2 Mo36 N4 O184.25 S32 Se8 |
| 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 | 28.4084 ± 0.001 Å |
| b | 28.8017 ± 0.001 Å |
| c | 33.5254 ± 0.0012 Å |
| α | 90° |
| β | 90.683 ± 0.002° |
| γ | 90° |
| Cell volume | 27428.9 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
7120387.cif |
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Users of the data should acknowledge the original authors of the
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