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Information card for entry 7123044
Preview
| Coordinates | 7123044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | NJU-Bai50 |
|---|---|
| Formula | C28 H12 N10 O16 Sc3 |
| Calculated formula | C28 H12 N10 O16 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 | 18.1419 ± 0.0009 Å |
| b | 18.1419 ± 0.0009 Å |
| c | 20.5197 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5848.8 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 189 |
| Hermann-Mauguin space group symbol | P -6 2 m |
| Hall space group symbol | P -6 -2 |
| Residual factor for all reflections | 0.186 |
| Residual factor for significantly intense reflections | 0.1126 |
| Weighted residual factors for significantly intense reflections | 0.2633 |
| Weighted residual factors for all reflections included in the refinement | 0.3023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| 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. |
7123044.cif |
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