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Information card for entry 2100676
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| Coordinates | 2100676.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | methylene bromide |
|---|---|
| Chemical name | Dibromomethane |
| Formula | C H2 Br2 |
| Calculated formula | C H2 Br2 |
| SMILES | BrCBr |
| Title of publication | Molecular interactions in crystalline dibromomethane and diiodomethane, and the stabilities of their high-pressure and low-temperature phases |
| Authors of publication | Marcin Podsiad{λ}o; Kamil F. Dziubek; Marek Szafranski; Andrzej Katrusiak |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | 1090 - 1098 |
| a | 12.031 ± 0.002 Å |
| b | 4.3385 ± 0.0009 Å |
| c | 14.795 ± 0.003 Å |
| α | 90° |
| β | 109.51 ± 0.03° |
| γ | 90° |
| Cell volume | 727.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1616 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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