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Information card for entry 7228389
Preview
| Coordinates | 7228389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H9 O11 Zn2 |
|---|---|
| Calculated formula | C23 H9 O11 Zn2 |
| Title of publication | An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis |
| Authors of publication | Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.094 ± 0.0006 Å |
| b | 12.7134 ± 0.0005 Å |
| c | 33.9463 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3924.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0983 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.2365 |
| Weighted residual factors for all reflections included in the refinement | 0.2531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197545 (current) | 2017-06-06 | cif/ Adding structures of 7228389 via cif-deposit CGI script. |
7228389.cif |
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