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Information card for entry 1506808
Preview
| Coordinates | 1506808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 01358 |
|---|---|
| Chemical name | Lithium perchlorate diglyme (1:2) |
| Formula | C12 H28 Cl Li O10 |
| Calculated formula | C12 H28 Cl Li O10 |
| Title of publication | LiClO4Electrolyte Solvate Structures |
| Authors of publication | Henderson, Wesley A.; Brooks, Neil R.; Brennessel, William W.; Young, Victor G. |
| Journal of publication | The Journal of Physical Chemistry A |
| Year of publication | 2004 |
| Journal volume | 108 |
| Journal issue | 1 |
| Pages of publication | 225 |
| a | 31.229 ± 0.004 Å |
| b | 12.075 ± 0.002 Å |
| c | 15.127 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5704.2 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1506808.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506808.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 {}' |
1506808.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506808.cif |
| 51451 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506807, 1506808 via cif-deposit CGI script. |
1506808.cif |
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Users of the data should acknowledge the original authors of the
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