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Information card for entry 4004054
Preview
| Coordinates | 4004054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H46 Co6 O34 |
|---|---|
| Calculated formula | C45 H46 Co6 O34 |
| Title of publication | Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving |
| Authors of publication | Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 8886 - 8894 |
| a | 22.57 ± 0.05 Å |
| b | 28.68 ± 0.06 Å |
| c | 10.94 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7082 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1463 |
| Residual factor for significantly intense reflections | 0.1107 |
| Weighted residual factors for significantly intense reflections | 0.2647 |
| Weighted residual factors for all reflections included in the refinement | 0.2985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271067 (current) | 2021-12-04 | cif/ Adding structures of 4004054 via cif-deposit CGI script. |
4004054.cif |
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