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Information card for entry 7029249
Preview
| Coordinates | 7029249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Lithium tartrate |
|---|---|
| Chemical name | Dilithium D,L-tartrate dihydrate |
| Formula | C4 H8 Li2 O8 |
| Calculated formula | C4 H8 Li2 O8 |
| SMILES | [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O.[Li+].[Li+].O.O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[Li+].[Li+].O.O |
| Title of publication | Phase selection during the crystallization of metal-organic frameworks; thermodynamic and kinetic factors in the lithium tartrate system. |
| Authors of publication | Yeung, Hamish Hei-Man; Cheetham, Anthony Kevin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 95 - 102 |
| a | 6.1037 ± 0.0004 Å |
| b | 7.335 ± 0.0007 Å |
| c | 9.0294 ± 0.0008 Å |
| α | 103.45 ± 0.008° |
| β | 90.701 ± 0.007° |
| γ | 100.79 ± 0.007° |
| Cell volume | 385.55 ± 0.06 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212870 (current) | 2019-01-06 | cif/7 Fixing some Z values and formulae |
7029249.cif |
| 179998 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029249.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7029249.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7029249.cif |
| 105557 | 2014-03-12 | cif/ Adding structures of 7029249, 7029250 via cif-deposit CGI script. |
7029249.cif |
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Users of the data should acknowledge the original authors of the
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