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Information card for entry 7100014
Preview
| Coordinates | 7100014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 F4 N4 Ni O6.129 W |
|---|---|
| Calculated formula | C8 H8 F4 N4 Ni O6.1286 W |
| Title of publication | Enhanced CO2 sorption properties in a polarizable [WO2F4]2−-pillared physisorbent under direct air capture conditions |
| Authors of publication | O’Nolan, Daniel; Chatterton, Lindsey; Bellamy, Timothy; Ennis, J. Todd; Soukri, Mustapha |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| Journal volume | 59 |
| Journal issue | 77 |
| Pages of publication | 11540 - 11543 |
| a | 9.91785 ± 0.00006 Å |
| b | 9.91785 ± 0.00006 Å |
| c | 15.71517 ± 0.00009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1545.8 ± 0.016 Å3 |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 7 |
| Space group number | 140 |
| Hermann-Mauguin space group symbol | I 4/m c m |
| Hall space group symbol | -I 4 2c |
| Weighted residual factors for significantly intense reflections | 0.10616 |
| RFsqd | 0.12662 |
| Goodness-of-fit parameter for all reflections | 16.026 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54051 Å |
| Diffraction radiation type | Kα~1,2~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1124 (current) | 2025-07-01 | cif/ Adding structures of 7100014 via cif-deposit CGI script. |
7100014.cif |
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Users of the data should acknowledge the original authors of the
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