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Information card for entry 1548313
Preview
| Coordinates | 1548313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H236 K18 Mo60 N4 O261 S36 |
|---|---|
| Calculated formula | C55 K15.2 Mo60 N4 O241.7 S36 |
| Title of publication | Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine |
| Authors of publication | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin |
| Journal of publication | Nature Communications |
| Year of publication | 2014 |
| Journal volume | 5 |
| Pages of publication | 3715 |
| a | 20.8518 ± 0.0005 Å |
| b | 28.0652 ± 0.0006 Å |
| c | 32.415 ± 0.0008 Å |
| α | 90° |
| β | 104.793 ± 0.001° |
| γ | 90° |
| Cell volume | 18340.8 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203776 (current) | 2017-11-29 | cif/ Adding structures of 1548313 via cif-deposit CGI script. |
1548313.cif |
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Users of the data should acknowledge the original authors of the
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