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Information card for entry 7228820
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| Coordinates | 7228820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CuAcO-CuTPyP |
|---|---|
| Formula | C7 H7 Cu0.63 N O2 |
| Calculated formula | C7 H7 Cu0.625 N O2 |
| 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 | 22.346 ± 0.0007 Å |
| b | 22.346 ± 0.0007 Å |
| c | 14.2977 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7139.5 ± 0.5 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 5 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1624 |
| Weighted residual factors for all reflections included in the refinement | 0.1721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| 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. |
7228820.cif |
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