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Information card for entry 7221746
Preview
| Coordinates | 7221746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 Br N4 O3 S |
|---|---|
| Calculated formula | C11 H14 Br N4 O3 S |
| Title of publication | Synthesis of tetrahalide dianions directed by crystal engineering |
| Authors of publication | Pan, F.; Puttreddy, R.; Rissanen, K.; Englert, U. |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 35 |
| Pages of publication | 6641 |
| a | 5.7078 ± 0.0005 Å |
| b | 11.5383 ± 0.001 Å |
| c | 12.198 ± 0.001 Å |
| α | 62.864 ± 0.001° |
| β | 79.418 ± 0.0012° |
| γ | 76.98 ± 0.0012° |
| Cell volume | 693.5 ± 0.1 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171030 (current) | 2015-12-09 | cif/ Updating files of 7221744, 7221745, 7221746, 7221747, 7221748, 7221749, 7221750 Original log message: Adding full bibliography for 7221744--7221750.cif. |
7221746.cif |
| 153325 | 2015-08-11 | cif/ Adding structures of 7221744, 7221745, 7221746, 7221747, 7221748, 7221749, 7221750 via cif-deposit CGI script. |
7221746.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.