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Information card for entry 4500139
Preview
| Coordinates | 4500139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hepta-lithium acetate trihydrate |
|---|---|
| Chemical name | Lithium acetate hydrate (0.429) |
| Formula | C14 H26 Li7 O17 |
| Calculated formula | C14 H26 Li7 O17 |
| 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 | 7.689 ± 0.0015 Å |
| b | 11.959 ± 0.002 Å |
| c | 13.881 ± 0.003 Å |
| α | 72.28 ± 0.03° |
| β | 88.93 ± 0.03° |
| γ | 89.08 ± 0.03° |
| Cell volume | 1215.6 ± 0.5 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 | 0.0391 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.7293 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. |
4500139.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. |
4500139.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500139.cif |
| 34398 | 2012-02-25 | cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong. |
4500139.cif |
| 34359 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500139 via cif-deposit CGI script. |
4500139.cif |
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Users of the data should acknowledge the original authors of the
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