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Information card for entry 1520106
Preview
| Coordinates | 1520106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C224 H273 B3 F12 N12 O66 Zn8 |
|---|---|
| Calculated formula | C192 H180 N12 O50 Zn8 |
| Title of publication | A molecular shuttle that operates inside a metal-organic framework |
| Authors of publication | Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb |
| Journal of publication | Nature Chemistry |
| Year of publication | 2015 |
| Journal volume | 7 |
| Pages of publication | 514 - 519 |
| a | 33.03 ± 0.004 Å |
| b | 33.03 ± 0.004 Å |
| c | 28.099 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 26548 ± 6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.1311 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.2135 |
| Weighted residual factors for all reflections included in the refinement | 0.2814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192145 (current) | 2017-02-15 | cif/1/52/01/ Adding DOIs for entries 1520105 and 1520106. |
1520106.cif |
| 137532 | 2015-05-29 | cif/ Adding structures of 1520106 via cif-deposit CGI script. |
1520106.cif |
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Users of the data should acknowledge the original authors of the
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