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Information card for entry 2230144
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| Coordinates | 2230144.cif |
|---|---|
| Structure factors | 2230144.hkl |
| Original IUCr paper | HTML |
| Chemical name | Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate |
|---|---|
| Formula | C20 H32 B2 F4 Li2 O16 S4 |
| Calculated formula | C20 H32 B2 F4 Li2 O16 S4 |
| SMILES | [Li]1([O]=C2O[B](OC2=O)(F)F)([O]=S2(=O)CCCC2)[O]=S2(CCCC2)=[O][Li]([O]=C2O[B](OC2=O)(F)F)([O]=S2(=O)CCCC2)[O]=S2(CCCC2)=[O]1 |
| Title of publication | Lithium difluoro(oxalato)borate tetramethylene sulfone disolvate |
| Authors of publication | Allen, Joshua L.; Boyle, Paul D.; Henderson, Wesley A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m533 |
| a | 13.9005 ± 0.0004 Å |
| b | 5.8917 ± 0.0001 Å |
| c | 19.9627 ± 0.0005 Å |
| α | 90° |
| β | 106.01 ± 0.0013° |
| γ | 90° |
| Cell volume | 1571.48 ± 0.07 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219800 (current) | 2019-10-28 | cif/2 Fixing Z values and formulae |
2230144.cif 2230144.hkl |
| 181223 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/01. |
2230144.cif 2230144.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230144.cif 2230144.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230144.cif 2230144.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230144.cif 2230144.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230144.cif 2230144.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230144.cif 2230144.hkl |
| 20217 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230144 via cif-deposit CGI script. |
2230144.cif |
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Users of the data should acknowledge the original authors of the
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