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Information card for entry 4127625
Preview
| Coordinates | 4127625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H15 Cl Fe3 N3 O19 |
|---|---|
| Calculated formula | C33 H15 Cl Fe3 N3 O19 |
| Title of publication | Pure-Supramolecular-Linker Approach to Highly Connected Metal-Organic Frameworks for CO<sub>2</sub> Capture. |
| Authors of publication | Song, Xiaohui; Zhang, Mingxing; Chen, Cong; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 37 |
| Pages of publication | 14539 - 14543 |
| a | 26.742 ± 0.003 Å |
| b | 26.742 ± 0.003 Å |
| c | 16.8667 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10446 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Residual factor for all reflections | 0.2083 |
| Residual factor for significantly intense reflections | 0.1338 |
| Weighted residual factors for significantly intense reflections | 0.3681 |
| Weighted residual factors for all reflections included in the refinement | 0.4121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220831 (current) | 2019-11-02 | cif/ Adding structures of 4127625 via cif-deposit CGI script. |
4127625.cif |
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Users of the data should acknowledge the original authors of the
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