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Information card for entry 1551927
Preview
| Coordinates | 1551927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H66 Mn3 N12 O16 |
|---|---|
| Calculated formula | C75 H66 Mn3 N12 O16 |
| Title of publication | Capturing snapshots of post-synthetic metallation chemistry in metal-organic frameworks |
| Authors of publication | Witold M. Bloch; Alexandre Burgun; Campbell J. Coghlan; Richmond Lee; Michelle L. Coote; Christian J. Doonan; Christopher J. Sumby |
| Journal of publication | Nature Chemistry |
| Year of publication | 2014 |
| Journal volume | 6 |
| Pages of publication | 906 - 912 |
| a | 16.9293 ± 0.001 Å |
| b | 18.4694 ± 0.0007 Å |
| c | 28.346 ± 0.002 Å |
| α | 90° |
| β | 100.629 ± 0.006° |
| γ | 90° |
| Cell volume | 8711 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1889 |
| Residual factor for significantly intense reflections | 0.1272 |
| Weighted residual factors for significantly intense reflections | 0.2276 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216656 (current) | 2019-07-01 | cif/ Adding structures of 1551927 via cif-deposit CGI script. |
1551927.cif |
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