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Information card for entry 1516390
Preview
| Coordinates | 1516390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Lithium Valerate |
|---|---|
| Chemical name | Lithium Pentanoate |
| Formula | C5 H9 Li O2 |
| Calculated formula | C5 H9 Li O2 |
| Title of publication | Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. |
| Authors of publication | Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2009 |
| Journal volume | 113 |
| Journal issue | 39 |
| Pages of publication | 12896 - 12902 |
| a | 14.358 ± 0.003 Å |
| b | 4.941 ± 0.001 Å |
| c | 8.846 ± 0.0018 Å |
| α | 90° |
| β | 93.92 ± 0.03° |
| γ | 90° |
| Cell volume | 626.1 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0945 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.7514 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516390.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516390.cif |
| 114829 | 2014-05-29 | cif/ Adding structures of 1516389, 1516390 via cif-deposit CGI script. |
1516390.cif |
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Users of the data should acknowledge the original authors of the
structural data.