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Information card for entry 7200034
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| Coordinates | 7200034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | acetone bromine complex |
|---|---|
| Chemical name | Propan-2-one bromine complex |
| Formula | C3 Br2 D6 O |
| Calculated formula | C3 Br2 D6 O |
| Title of publication | Negative 2D thermal expansion in the halogen bonded acetone bromine complex |
| Authors of publication | Marshall, W. G.; Jones, R. H.; Knight, K. S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 23 |
| Pages of publication | 3246 - 3250 |
| a | 7.56309 ± 0.00012 Å |
| b | 7.35611 ± 0.00014 Å |
| c | 11.87474 ± 0.0002 Å |
| α | 90° |
| β | 102.169 ± 0.0006° |
| γ | 90° |
| Cell volume | 645.806 ± 0.019 Å3 |
| Cell temperature | 14 K |
| Ambient diffraction temperature | 14 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Goodness-of-fit parameter for all reflections | 9.09 |
| Method of determination | powder diffraction |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1151 (current) | 2025-07-01 | cif/ Adding structures of 7200034, 7200035, 7200036, 7200037 via cif-deposit CGI script. |
7200034.cif |
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Users of the data should acknowledge the original authors of the
structural data.