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Information card for entry 7228466
Preview
| Coordinates | 7228466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27.69 H24.94 Cd N4.57 O6.57 |
|---|---|
| Calculated formula | C27.698 H24.962 Cd N4.566 O6.566 |
| 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 | 10.27 ± 0.001 Å |
| b | 10.9495 ± 0.0011 Å |
| c | 13.9134 ± 0.0013 Å |
| α | 101.807 ± 0.002° |
| β | 100.473 ± 0.002° |
| γ | 109.366 ± 0.002° |
| Cell volume | 1391 ± 0.2 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| 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. |
7228466.cif |
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Users of the data should acknowledge the original authors of the
structural data.