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Information card for entry 7228463
Preview
| Coordinates | 7228463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27.45 H26.3 Cd N4.48 O6.48 |
|---|---|
| Calculated formula | C27.455 H26.307 Cd N4.485 O6.485 |
| 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 | 10.278 ± 0.003 Å |
| b | 10.999 ± 0.003 Å |
| c | 14.002 ± 0.004 Å |
| α | 102.274 ± 0.007° |
| β | 100.019 ± 0.007° |
| γ | 109.594 ± 0.006° |
| Cell volume | 1404.5 ± 0.7 Å3 |
| Cell temperature | 323 K |
| Ambient diffraction temperature | 323 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.2059 |
| Weighted residual factors for all reflections included in the refinement | 0.2135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| 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. |
7228463.cif |
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Users of the data should acknowledge the original authors of the
structural data.