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Information card for entry 7239556
Preview
| Coordinates | 7239556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C402 H338 Cd17 N2 O116 |
|---|---|
| Calculated formula | C401.94 H337.86 Cd17 N1.98 O115.98 |
| Title of publication | A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives |
| Authors of publication | Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 1465 |
| a | 25.7369 ± 0.0005 Å |
| b | 25.7369 ± 0.0005 Å |
| c | 61.601 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 35337.1 ± 1.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0539 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1254 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244768 (current) | 2019-11-28 | cif/ Adding structures of 7239556 via cif-deposit CGI script. |
7239556.cif |
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Users of the data should acknowledge the original authors of the
structural data.