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Information card for entry 7228821
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| Coordinates | 7228821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H80 Cu5 N8 O16 |
|---|---|
| Calculated formula | C128 H80 Cu5 N8 O16 |
| Title of publication | Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation |
| Authors of publication | Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 17.653 ± 0.004 Å |
| b | 43.763 ± 0.011 Å |
| c | 18.317 ± 0.005 Å |
| α | 90° |
| β | 102.967 ± 0.003° |
| γ | 90° |
| Cell volume | 13790 ± 6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1824 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.2487 |
| Weighted residual factors for all reflections included in the refinement | 0.2979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199447 (current) | 2017-08-02 | cif/ Adding structures of 7228819, 7228820, 7228821 via cif-deposit CGI script. |
7228821.cif |
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