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Information card for entry 4001638
Preview
| Coordinates | 4001638.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 01354 |
|---|---|
| Formula | C20 H44 B4 F16 Li4 O10 |
| Calculated formula | C20 H44 B4 F15.96 Li4 O10 |
| SMILES | [Li]1[F][B](F)(F)[F][Li]2([F][B](F)(F)[F]1)[F][B](F)(F)[F][Li][F][B](F)(F)[F]2.C[O]1CC[O]2CC[O]([Li]1234)CC[O]1CC[O]([Li]251[O](C)CC[O]5CC[O]2CC[O]3CC[O]4C)C |
| Title of publication | Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II) |
| Authors of publication | Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| Journal volume | 15 |
| Journal issue | 24 |
| Pages of publication | 4685 |
| a | 19.72 ± 0.002 Å |
| b | 8.9762 ± 0.001 Å |
| c | 21.36 ± 0.002 Å |
| α | 90° |
| β | 102.607 ± 0.002° |
| γ | 90° |
| Cell volume | 3689.8 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
4001638.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001638.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 {}' |
4001638.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001638.cif |
| 53746 | 2012-04-20 | cif/ Adding structures of 4001638 via cif-deposit CGI script. |
4001638.cif |
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Users of the data should acknowledge the original authors of the
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