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Information card for entry 1551392
Preview
| Coordinates | 1551392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C628.5 H496.5 B115.5 Co12 F81 N117 O54 S27 |
|---|---|
| Calculated formula | C586.5 H489.75 B126 Co12 N101.25 |
| Title of publication | Stereochemical plasticity modulates cooperative binding in a CoII12L6 cuboctahedron |
| Authors of publication | Felix J. Rizzuto; Jonathan R. Nitschke |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 10 |
| Pages of publication | 903 - 908 |
| a | 48.517 ± 0.005 Å |
| b | 48.517 ± 0.005 Å |
| c | 64.134 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 130740 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1767 |
| Residual factor for significantly intense reflections | 0.1491 |
| Weighted residual factors for significantly intense reflections | 0.3782 |
| Weighted residual factors for all reflections included in the refinement | 0.3995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215921 (current) | 2019-06-13 | cif/ Adding structures of 1551392 via cif-deposit CGI script. |
1551392.cif |
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