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Information card for entry 1564886
Preview
| Coordinates | 1564886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H16 Cu N5 O4 S2 |
|---|---|
| Calculated formula | C8 H12 Cu N4 S2 |
| Title of publication | Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion |
| Authors of publication | Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 507 |
| Pages of publication | 119568 |
| a | 16.3614 ± 0.0008 Å |
| b | 13.9033 ± 0.0007 Å |
| c | 6.9472 ± 0.0003 Å |
| α | 90° |
| β | 98.539 ± 0.002° |
| γ | 90° |
| Cell volume | 1562.81 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0309 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269850 (current) | 2021-10-07 | cif/ Adding structures of 1564886 via cif-deposit CGI script. |
1564886.cif |
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Users of the data should acknowledge the original authors of the
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