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Information card for entry 2235342
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| Coordinates | 2235342.cif |
|---|---|
| Structure factors | 2235342.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(<i>L</i>-lactato)magnesium |
|---|---|
| Formula | C6 H14 Mg O8 |
| Calculated formula | C6 H14 Mg O8 |
| SMILES | [Mg]12(OC(=O)[C@@H]([OH]1)C)(OC(=O)[C@@H]([OH]2)C)([OH2])[OH2] |
| Title of publication | Diaquabis(<small>L</small>-lactato)magnesium |
| Authors of publication | Zhu, Hong-lin; Jin, Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m978 |
| a | 6.0525 ± 0.0012 Å |
| b | 11.919 ± 0.002 Å |
| c | 14.526 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1047.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (current) | 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 2/23/53. |
2235342.cif 2235342.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2235342.cif 2235342.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235342.cif 2235342.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. | 2235342.cif 2235342.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235342.cif 2235342.hkl |
| 63780 | 2012-08-10 | cif/ Adding structures of 2235342 via cif-deposit CGI script. |
2235342.cif |
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Users of the data should acknowledge the original authors of the
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