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Information card for entry 7018226
Preview
| Coordinates | 7018226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 Br6 Se2 |
|---|---|
| Calculated formula | C24 H18 Br6 Se2 |
| SMILES | Br[Se]1([Se+](c2ccc3c4c(ccc1c24)CC3)c1ccccc1)c1ccccc1.Br[Br-]Br.BrBr |
| Title of publication | Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors. |
| Authors of publication | Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 11 |
| Pages of publication | 3154 - 3165 |
| a | 10.87 ± 0.005 Å |
| b | 11.404 ± 0.006 Å |
| c | 11.938 ± 0.006 Å |
| α | 106.223 ± 0.007° |
| β | 91.894 ± 0.008° |
| γ | 108.294 ± 0.009° |
| Cell volume | 1337.2 ± 1.2 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 125 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.147 |
| Residual factor for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.3337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018226.cif |
| 179886 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82. |
7018226.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018226.cif |
| 37691 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018225, 7018226, 7018227, 7018228, 7018229, 7018230, 7018231, 7018232, 7018233, 7018234, 7018235, 7018236 via cif-deposit CGI script. |
7018226.cif |
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Users of the data should acknowledge the original authors of the
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