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Information card for entry 2020862
Preview
| Coordinates | 2020862.cif |
|---|---|
| Structure factors | 2020862.hkl |
| Original IUCr paper | HTML |
| Common name | PCN-427 |
|---|---|
| Formula | C32 H22 Cu2 N0 O10 |
| Calculated formula | C32 H22 Cu2 O10 |
| Title of publication | Crystal engineering on superpolyhedral building blocks in metal‒organic frameworks applied in gas adsorption |
| Authors of publication | Chen, Ying-Pin; Liu, Tian-Fu; Fordham, Stephen; Zhou, Hong-Cai |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 613 - 610 |
| a | 18.757 ± 0.0005 Å |
| b | 18.757 ± 0.0005 Å |
| c | 36.092 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12698.1 ± 0.9 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 136 |
| Hermann-Mauguin space group symbol | P 42/m n m |
| Hall space group symbol | -P 4n 2n |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200029 (current) | 2017-08-31 | cif/ hkl/ Adding structures of 2020862 via cif-deposit CGI script. |
2020862.cif 2020862.hkl |
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Users of the data should acknowledge the original authors of the
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