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Information card for entry 7123042
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| Coordinates | 7123042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | NJU-Bai51 |
|---|---|
| Formula | C28 H10 Br4 N11 O19 Sc3 |
| Calculated formula | C28 H10 Br4 N11 O19 Sc3 |
| Title of publication | Constructing and finely tuning CO2 traps of stable and various-pores-containing MOFs towards highly selective CO2 capture |
| Authors of publication | Song, Xiaohui; Zhang, Mingxing; Duan, Jingui; Bai, Junfeng |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 17.9479 ± 0.0006 Å |
| b | 17.9479 ± 0.0006 Å |
| c | 22.2481 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7166.7 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1896 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213798 (current) | 2019-02-23 | cif/ Adding structures of 7123042, 7123043, 7123044 via cif-deposit CGI script. |
7123042.cif |
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