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Information card for entry 4518018
Preview
| Coordinates | 4518018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H48 N12 Ni |
|---|---|
| Calculated formula | C66 H48 N12 Ni |
| Title of publication | A Water-Stable Cationic Metal-Organic Framework with Hydrophobic Pore Surfaces as an Efficient Scavenger of Oxo-Anion Pollutants from Water. |
| Authors of publication | Dutta, Subhajit; Samanta, Partha; Joarder, Biplab; Let, Sumanta; Mahato, Debanjan; Babarao, Ravichandar; Ghosh, Sujit K. |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 18.595 ± 0.01 Å |
| b | 18.595 ± 0.01 Å |
| c | 23.048 ± 0.019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6902 ± 8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.217 |
| Residual factor for significantly intense reflections | 0.133 |
| Weighted residual factors for significantly intense reflections | 0.3093 |
| Weighted residual factors for all reflections included in the refinement | 0.3549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255929 (current) | 2020-09-06 | cif/ Adding structures of 4518018 via cif-deposit CGI script. |
4518018.cif |
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Users of the data should acknowledge the original authors of the
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