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Information card for entry 2232153
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| Coordinates | 2232153.cif |
|---|---|
| Structure factors | 2232153.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | hexa-μ~2~-bromido-μ~4~-oxido-tetrakis[(diethyl ether)magnesium] |
|---|---|
| Formula | C16 H40 Br6 Mg4 O5 |
| Calculated formula | C16 H40 Br6 Mg4 O5 |
| SMILES | CC[O](CC)[Mg]123[O]45[Mg]6([Br]1)([O](CC)CC)[Br][Mg]4([O](CC)CC)([Br][Mg]5([Br]2)([O](CC)CC)[Br]6)[Br]3 |
| Title of publication | The low-temperature structure of diethyl ether magnesium oxybromide |
| Authors of publication | Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1614 |
| a | 10.463 ± 0.0013 Å |
| b | 10.463 ± 0.0013 Å |
| c | 15.276 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1672.3 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2232153.cif 2232153.hkl |
| 181243 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/21. |
2232153.cif 2232153.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232153.cif 2232153.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232153.cif 2232153.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232153.cif 2232153.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232153.cif 2232153.hkl |
| 30795 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232153 via cif-deposit CGI script. |
2232153.cif |
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Users of the data should acknowledge the original authors of the
structural data.