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Information card for entry 2020901
Preview
| Coordinates | 2020901.cif |
|---|---|
| Structure factors | 2020901.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquabis[5-methoxy-<i>N</i>-(pyridin-2-yl-κ<i>N</i>)benzothiazol-2-amine-κ<i>N</i>^3^]copper(II) dinitrate |
|---|---|
| Formula | C26 H24 Cu N8 O9 S2 |
| Calculated formula | C26 H24 Cu N8 O9 S2 |
| Title of publication | Copper(II)- and gold(III)-mediated cyclization of a thiourea to a substituted 2-aminobenzothiazole |
| Authors of publication | Schroeder, Zachary W.; Hiscock, L. K.; Dawe, Louise Nicole |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 905 - 910 |
| a | 18.1534 ± 0.0004 Å |
| b | 7.1814 ± 0.0001 Å |
| c | 21.8523 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2848.82 ± 0.09 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.335 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205305 (current) | 2018-01-17 | cif/ hkl/ Adding structures of 2020900, 2020901, 2020902 via cif-deposit CGI script. |
2020901.cif 2020901.hkl |
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Users of the data should acknowledge the original authors of the
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