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Information card for entry 4131025
Preview
| Coordinates | 4131025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H72 Co9 N12 O35 |
|---|---|
| Calculated formula | C144 H72 Co9 N12 O35 |
| Title of publication | Deciphering the Spatial Arrangement of Metals and Correlation to Reactivity in Multivariate Metal-Organic Frameworks. |
| Authors of publication | Liu, Qi; Cong, Hengjiang; Deng, Hexiang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 42 |
| Pages of publication | 13822 - 13825 |
| a | 32.1397 ± 0.0007 Å |
| b | 32.1397 ± 0.0007 Å |
| c | 16.6976 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14937.2 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0909 |
| Residual factor for significantly intense reflections | 0.0708 |
| Weighted residual factors for significantly intense reflections | 0.2053 |
| Weighted residual factors for all reflections included in the refinement | 0.2271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241333 (current) | 2019-11-25 | cif/ Adding structures of 4131025 via cif-deposit CGI script. |
4131025.cif |
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Users of the data should acknowledge the original authors of the
structural data.