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Information card for entry 7228467
Preview
| Coordinates | 7228467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Cd N4 O6 |
|---|---|
| Calculated formula | C26 H21 Cd N4 O6 |
| Title of publication | A Cd mixed-ligand MOF showing Ligand-Disorder Induced Breathing Behaviour at High Temperature and Stepwise, Selective Carbon Dioxide Adsorption at Low Temperature |
| Authors of publication | Tahier, Tayyibah; Oliver, Clive L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 27.33 ± 0.006 Å |
| b | 10.234 ± 0.002 Å |
| c | 20.922 ± 0.005 Å |
| α | 90° |
| β | 110.635 ± 0.007° |
| γ | 90° |
| Cell volume | 5476 ± 2 Å3 |
| Cell temperature | 373.15 K |
| Ambient diffraction temperature | 373.15 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1198 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197788 (current) | 2017-06-14 | cif/ Adding structures of 7228463, 7228464, 7228465, 7228466, 7228467 via cif-deposit CGI script. |
7228467.cif |
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Users of the data should acknowledge the original authors of the
structural data.