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Information card for entry 1557246
Preview
| Coordinates | 1557246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105 H103.5 Mn3 N12 O12 |
|---|---|
| Calculated formula | C105 H103.5 Mn3 N12 O12 |
| Title of publication | MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. |
| Authors of publication | Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. |
| Journal of publication | Faraday discussions |
| Year of publication | 2021 |
| Journal volume | 225 |
| Journal issue | 0 |
| Pages of publication | 84 - 99 |
| a | 12.276 ± 0.003 Å |
| b | 12.869 ± 0.003 Å |
| c | 31.586 ± 0.006 Å |
| α | 93.98 ± 0.03° |
| β | 97.43 ± 0.03° |
| γ | 92.02 ± 0.03° |
| Cell volume | 4931 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1959 |
| Residual factor for significantly intense reflections | 0.148 |
| Weighted residual factors for significantly intense reflections | 0.443 |
| Weighted residual factors for all reflections included in the refinement | 0.4652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.663 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261710 (current) | 2021-02-05 | cif/ Updating files of 1557244, 1557245, 1557246, 1557247, 1557248, 1557249, 1557250, 1557251 Original log message: Adding full bibliography for 1557244--1557251.cif. |
1557246.cif |
| 247882 | 2020-02-05 | cif/ Adding structures of 1557244, 1557245, 1557246, 1557247, 1557248, 1557249, 1557250, 1557251 via cif-deposit CGI script. |
1557246.cif |
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Users of the data should acknowledge the original authors of the
structural data.