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Information card for entry 7240966
Preview
| Coordinates | 7240966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H13 Ca N O5 S2 |
|---|---|
| Calculated formula | C13 H13 Ca N O5 S2 |
| Title of publication | Novel alkaline earth metal-organic frameworks with thiophene group for selective detection of Fe3+ |
| Authors of publication | Yao, Jun; Liu, Yan-E; Yang, Li-Bo; Dou, Ai-Na; Hou, Cheng-Fu; Xu, Quan-Qing; Huang, Bo; Zhu, Ai-Xin |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 22.642 ± 0.003 Å |
| b | 9.7853 ± 0.0012 Å |
| c | 6.8909 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1526.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 26 |
| Hermann-Mauguin space group symbol | P m c 21 |
| Hall space group symbol | P 2c -2 |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254717 (current) | 2020-08-01 | cif/ Adding structures of 7240965, 7240966, 7240967 via cif-deposit CGI script. |
7240966.cif |
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Users of the data should acknowledge the original authors of the
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