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Information card for entry 4500138
Preview
| Coordinates | 4500138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Anhydrous Lithium Acetate |
|---|---|
| Chemical name | Anhydrous Lithium Acetate |
| Formula | C216 H324 Li108 O216 |
| Calculated formula | C216 H324 Li108 O216 |
| Title of publication | Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers |
| Authors of publication | Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 1021 |
| a | 23.488 ± 0.005 Å |
| b | 27.709 ± 0.006 Å |
| c | 29.963 ± 0.006 Å |
| α | 99.59 ± 0.03° |
| β | 91.8 ± 0.03° |
| γ | 106.93 ± 0.03° |
| Cell volume | 18329 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0877 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.2071 |
| Weighted residual factors for all reflections included in the refinement | 0.2231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.9803 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179532 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01. |
4500138.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4500138.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500138.cif |
| 34398 | 2012-02-25 | cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong. |
4500138.cif |
| 34358 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500138 via cif-deposit CGI script. |
4500138.cif |
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Users of the data should acknowledge the original authors of the
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