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Information card for entry 2018339
Preview
| Coordinates | 2018339.cif |
|---|---|
| Structure factors | 2018339.hkl |
| Original IUCr paper | HTML |
| Common name | Magnesium chloride tetrahydrate |
|---|---|
| Chemical name | Magnesium chloride tetrahydrate |
| Formula | Cl2 H8 Mg O4 |
| Calculated formula | Cl2 H8 Mg O4 |
| SMILES | [OH2][Mg](Cl)(Cl)([OH2])([OH2])[OH2] |
| Title of publication | Magnesium chloride tetrahydrate, MgCl~2~·4H~2~O |
| Authors of publication | Schmidt, Horst; Hennings, Erik; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | i4 - i6 |
| a | 7.2557 ± 0.0003 Å |
| b | 8.4285 ± 0.0004 Å |
| c | 11.0412 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 675.22 ± 0.06 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| 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 | 0.0197 |
| Residual factor for significantly intense reflections | 0.0158 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018339.cif 2018339.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018339.cif 2018339.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018339.cif 2018339.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. | 2018339.cif 2018339.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018339.cif 2018339.hkl |
| 32137 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018339 via cif-deposit CGI script. |
2018339.cif |
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Users of the data should acknowledge the original authors of the
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