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Information card for entry 7209094
Preview
| Coordinates | 7209094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bis(2-amino-1,3-benzothiazole-6-carboxylate)-cadmium(ii) |
|---|---|
| Formula | C16 H10 Cd N4 O4 S2 |
| Calculated formula | C16 H10 Cd N4 O4 S2 |
| Title of publication | Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions |
| Authors of publication | Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 343 |
| a | 8.4133 ± 0.0017 Å |
| b | 9.7073 ± 0.0019 Å |
| c | 11.035 ± 0.002 Å |
| α | 81.28 ± 0.03° |
| β | 87.91 ± 0.03° |
| γ | 75.48 ± 0.03° |
| Cell volume | 862.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7209094.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7209094.cif |
| 73583 | 2013-02-20 | cif/ Adding structures of 7209094, 7209095, 7209096 via cif-deposit CGI script. |
7209094.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.