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Information card for entry 7220832
Preview
| Coordinates | 7220832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 B2 Cu F8 N24 O2 |
|---|---|
| Calculated formula | C12 H16 B2 Cu F8 N24 O2 |
| Title of publication | A series of multi-dimensional metal‒organic frameworks with trans-4,4′-azo-1,2,4-triazole: polymorphism, guest induced single-crystal-to-single-crystal transformation and solvatochromism |
| Authors of publication | Ding, Bin; Wang, You You; Liu, Shi Xin; Wu, Xiang Xia; Zhu, Zhao Zhou; Huo, Jian Zhong; Liu, Yuan Yuan |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 29 |
| Pages of publication | 5396 |
| a | 8.2723 ± 0.0012 Å |
| b | 20.345 ± 0.003 Å |
| c | 8.6343 ± 0.0011 Å |
| α | 90° |
| β | 92.36 ± 0.002° |
| γ | 90° |
| Cell volume | 1451.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220832.cif |
| 153123 | 2015-08-08 | cif/ Updating files of 7220823, 7220824, 7220825, 7220826, 7220827, 7220828, 7220829, 7220830, 7220831, 7220832 Original log message: Adding full bibliography for 7220823--7220832.cif. |
7220832.cif |
| 139495 | 2015-06-23 | cif/ Adding structures of 7220823, 7220824, 7220825, 7220826, 7220827, 7220828, 7220829, 7220830, 7220831, 7220832 via cif-deposit CGI script. |
7220832.cif |
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Users of the data should acknowledge the original authors of the
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