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Information card for entry 1511785
Preview
Coordinates | 1511785.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H3 B F2 Li N O4 |
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Calculated formula | C4 H3 B F2 Li N O4 |
SMILES | [B]1(F)(F)OC(=O)C(=O)O1.C(#[N][Li])C |
Title of publication | Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes |
Authors of publication | Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A. |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2013 |
Journal volume | 117 |
Journal issue | 11 |
Pages of publication | 5521 |
a | 8.0325 ± 0.0002 Å |
b | 6.1722 ± 0.0002 Å |
c | 14.8786 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 737.65 ± 0.04 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 7 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0401 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1511785.cif |
132051 | 2015-02-19 | cif/1/51/17/ (antanas@koala.ibt.lt) Fixing author name for CIFs 1511785, 1511786, 1511787, 1511788, 1511789, 1511790, 1511791, 1511792, 1511793. |
1511785.cif |
85704 | 2013-05-07 | cif/ Adding structures of 1511785 via cif-deposit CGI script. |
1511785.cif |
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Users of the data should acknowledge the original authors of the
structural data.