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Information card for entry 1571459
Preview
| Coordinates | 1571459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H18 Ni4 O19 |
|---|---|
| Calculated formula | C36 H18 Ni4 O19 |
| Title of publication | An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO2 Sieving over C2H2 |
| Authors of publication | Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 7.0744 ± 0.0001 Å |
| b | 13.6038 ± 0.0003 Å |
| c | 20.6602 ± 0.0004 Å |
| α | 98.903 ± 0.001° |
| β | 96.002 ± 0.001° |
| γ | 101.59 ± 0.001° |
| Cell volume | 1905.31 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291261 (current) | 2024-04-18 | cif/ Adding structures of 1571459 via cif-deposit CGI script. |
1571459.cif |
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Users of the data should acknowledge the original authors of the
structural data.