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Information card for entry 7232420
Preview
| Coordinates | 7232420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Br2 Cu N4 O2 |
|---|---|
| Calculated formula | C12 H12 Br2 Cu N4 O2 |
| Title of publication | Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism |
| Authors of publication | Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 12 |
| Pages of publication | 1910 |
| a | 3.8846 ± 0.0007 Å |
| b | 23.76 ± 0.005 Å |
| c | 7.9582 ± 0.0013 Å |
| α | 90° |
| β | 96.19 ± 0.016° |
| γ | 90° |
| Cell volume | 730.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223730 (current) | 2019-11-07 | cif/ Updating files of 7232418, 7232419, 7232420, 7232421, 7232422, 7232423, 7232424 Original log message: Adding full bibliography for 7232418--7232424.cif. |
7232420.cif |
| 213736 | 2019-02-21 | cif/ Adding structures of 7232418, 7232419, 7232420, 7232421, 7232422, 7232423, 7232424 via cif-deposit CGI script. |
7232420.cif |
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Users of the data should acknowledge the original authors of the
structural data.