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Information card for entry 1551394
Preview
| Coordinates | 1551394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C618 H355.5 B5.5 Co12 F133 N117 O74 S37 |
|---|---|
| Calculated formula | C581 H355.5 B5.5 Co12 F22 N98.5 |
| 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 | 40.2042 ± 0.0009 Å |
| b | 54.2465 ± 0.0018 Å |
| c | 40.2935 ± 0.0009 Å |
| α | 90° |
| β | 90.408 ± 0.002° |
| γ | 90° |
| Cell volume | 87875 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1676 |
| Residual factor for significantly intense reflections | 0.1492 |
| Weighted residual factors for significantly intense reflections | 0.3951 |
| Weighted residual factors for all reflections included in the refinement | 0.4133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.289 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215923 (current) | 2019-06-13 | cif/ Adding structures of 1551394 via cif-deposit CGI script. |
1551394.cif |
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Users of the data should acknowledge the original authors of the
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