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Information card for entry 1548315
Preview
| Coordinates | 1548315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H126 K14 Mo34 O148 S24 |
|---|---|
| Calculated formula | C20 K13.6 Mo34 O147.01 S24 |
| 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 | 26.515 ± 0.002 Å |
| b | 44.264 ± 0.003 Å |
| c | 17.7362 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20816 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Residual factor for all reflections | 0.1338 |
| Residual factor for significantly intense reflections | 0.1173 |
| Weighted residual factors for significantly intense reflections | 0.2478 |
| Weighted residual factors for all reflections included in the refinement | 0.2556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203778 (current) | 2017-11-29 | cif/ Adding structures of 1548315 via cif-deposit CGI script. |
1548315.cif |
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Users of the data should acknowledge the original authors of the
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