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Information card for entry 7245667
Preview
| Coordinates | 7245667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 N13 O5 Zn2 |
|---|---|
| Calculated formula | C27 H27 N13 O5 Zn2 |
| Title of publication | Adenine-based bio-MOFs with high water and acid–base stability for ammonia capture |
| Authors of publication | Ruan, Mingming; Li, Anqi; Wen, Yaping; Zhou, Lian; Zhang, Jun; Xuan, Xiaopeng |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 17.6657 ± 0.0003 Å |
| b | 11.3205 ± 0.0002 Å |
| c | 8.8645 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1772.76 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278554 (current) | 2022-10-13 | cif/ Adding structures of 7245667, 7245668 via cif-deposit CGI script. |
7245667.cif |
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Users of the data should acknowledge the original authors of the
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