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Information card for entry 2105677
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| Coordinates | 2105677.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | lithium chloroacetate |
|---|---|
| Chemical name | chloroacetic acid, lithium salt |
| Formula | C2 H2 Cl Li O2 |
| Calculated formula | C2 Cl Li O2 |
| SMILES | ClCC(=O)[O-].[Li+] |
| Title of publication | Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction |
| Authors of publication | Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 517 - 524 |
| a | 9.3882 ± 0.0009 Å |
| b | 4.8452 ± 0.0004 Å |
| c | 9.0119 ± 0.0007 Å |
| α | 90° |
| β | 94.33 ± 0.005° |
| γ | 90° |
| Cell volume | 408.76 ± 0.06 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Goodness-of-fit parameter for all reflections | 2.24 |
| Diffraction radiation wavelength | 1.2841 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105677.cif |
| 90955 | 2013-11-21 | cif/ Adding structures of 2105677, 2105678, 2105679 via cif-deposit CGI script. |
2105677.cif |
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Users of the data should acknowledge the original authors of the
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