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Information card for entry 7042937
Preview
| Coordinates | 7042937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Cd N7 O13 |
|---|---|
| Calculated formula | C19 H12 Cd N7 O7 |
| Title of publication | Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties |
| Authors of publication | Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 13.146 ± 0.005 Å |
| b | 13.54 ± 0.005 Å |
| c | 17.464 ± 0.005 Å |
| α | 90° |
| β | 92.635 ± 0.005° |
| γ | 90° |
| Cell volume | 3105.3 ± 1.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196607 (current) | 2017-05-10 | cif/ Adding structures of 7042937, 7042938, 7042939, 7042940 via cif-deposit CGI script. |
7042937.cif |
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Users of the data should acknowledge the original authors of the
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