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Information card for entry 7118587
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| Coordinates | 7118587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zinc aminotriazolato oxalate |
|---|---|
| Chemical name | Zinc aminotriazolato oxalate |
| Formula | C9 H14 N8 O5 Zn2 |
| Calculated formula | C9 H14 N8 O5 Zn2 |
| Title of publication | Enhancing the carbon capture capacities of a rigid ultra-microporous MOF through gate-opening at low CO2 pressures assisted by swiveling oxalate pillars. |
| Authors of publication | Banerjee, Aparna; Nandi, Shyamapada; Nasa, Parveen; Vaidhyanathan, Ramanathan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 9 |
| Pages of publication | 1851 - 1854 |
| a | 9.1877 ± 0.0004 Å |
| b | 13.6108 ± 0.0006 Å |
| c | 12.5305 ± 0.0005 Å |
| α | 90° |
| β | 104.629 ± 0.001° |
| γ | 90° |
| Cell volume | 1516.16 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.028 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174805 (current) | 2016-01-23 | cif/ Adding structures of 7118586, 7118587, 7118588, 7118589, 7118590 via cif-deposit CGI script. |
7118587.cif |
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Users of the data should acknowledge the original authors of the
structural data.