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Information card for entry 1556482
Preview
| Coordinates | 1556482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H28 Br2 Ca O5 |
|---|---|
| Calculated formula | C12 H28 Br2 Ca O5 |
| SMILES | [Ca]12(Br)(Br)([O](C)CC[O]1C)([O](C)CC[O]2C)[O]1CCCC1 |
| Title of publication | Reduction of Bromo- and Iodo-2,6-bis(diphenylphosphanylmethyl)benzene with Magnesium and Calcium |
| Authors of publication | Koch, A.; Krieck, S.; Gorls, H.; Westerhausen, M. |
| Journal of publication | Inorganics |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 39 |
| a | 11.4609 ± 0.0003 Å |
| b | 11.5457 ± 0.0003 Å |
| c | 14.2003 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1879.04 ± 0.08 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.0185 |
| Weighted residual factors for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.0452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244962 (current) | 2019-12-09 | cif/ Adding structures of 1556479, 1556480, 1556481, 1556482 via cif-deposit CGI script. |
1556482.cif |
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Users of the data should acknowledge the original authors of the
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