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Information card for entry 7239548
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| Coordinates | 7239548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PCN-38 |
|---|---|
| Formula | C90 H64 Cu4 N0 O24 |
| Calculated formula | C90 H64 Cu4 O24 |
| Title of publication | Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework |
| Authors of publication | Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 43 |
| Pages of publication | 13502 |
| a | 20.639 ± 0.009 Å |
| b | 22.923 ± 0.01 Å |
| c | 23.247 ± 0.01 Å |
| α | 82.718 ± 0.006° |
| β | 71.061 ± 0.006° |
| γ | 80.352 ± 0.007° |
| Cell volume | 10225 ± 8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 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 | 0.2063 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.1723 |
| Weighted residual factors for all reflections included in the refinement | 0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.839 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244763 (current) | 2019-11-28 | cif/ Adding structures of 7239546, 7239547, 7239548 via cif-deposit CGI script. |
7239548.cif |
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Users of the data should acknowledge the original authors of the
structural data.